SCHEMBL29533645

SCHEMBL29533645

Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1N=Nc1ccccc1S(=O)(=O)c1ccccc1.[Na+]

nearest known ligand 0.70

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB known ✓ P10828 1/20 0.37
▸ APEX1 P27695 2/20 0.70
▸ APP P05067 1/20 0.50
▸ ENPP2 Q13822 2/20 0.48
▸ DUSP5 Q16690 2/20 0.48
▸ CYP1A2 P05177 3/20 0.45
▸ SUMO2 P61956 1/20 0.44
▸ SUMO1 P63165 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP2 Q9HC62 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ GRK2 P25098 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PLEC Q15149 1/20 0.44
▸ PTPN1 P18031 6/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPK1 P28482 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14001583 0.90 ENPP2 (0.60) APEX1ENPP2CYP1A2SUMO2SUMO1
SCHEMBL16490261 0.90 ENPP2 (0.60) APEX1ENPP2CYP1A2SUMO2SUMO1
SCHEMBL11317610 0.86 APEX1 (0.65) APEX1APPENPP2DUSP5CYP1A2
SCHEMBL14133503 0.85 APEX1 (0.50) APEX1APPENPP2CYP1A2SUMO2
SCHEMBL29623460 0.82 APEX1 (1.00) APEX1APPENPP2DUSP5CYP1A2
SCHEMBL11670477 0.82 APEX1 (1.00) APEX1APPENPP2DUSP5CYP1A2
SCHEMBL29625848 0.82 APEX1 (0.64) APEX1APPENPP2DUSP5CYP1A2
SCHEMBL11670218 0.82 APEX1 (0.66) APEX1APPENPP2DUSP5CYP1A2
SCHEMBL29637808 0.81 APEX1 (0.60) APEX1APPENPP2DUSP5CYP1A2
SCHEMBL11226640 0.81 ENPP2 (0.67) APEX1ENPP2CYP1A2SUMO2SUMO1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 228 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4547208-B1 PROCESS FOR REMOVING THE COLOUR FROM PREVIOUSLY DYED KERATINOUS HAIR FIBRES OREAL (FR) 2026-05-27 — — EP disclosed
US-12636246-B2 Process for colouring hair keratin fibers, comprising the application of a composition comprising at least one (poly)carbodiimide compound and a composition comprising at least one associative polymer and a particular compound L'OREAL (FR) 2026-05-26 — — US disclosed
CN-122094656-A Method for dyeing hair keratin fibres, comprising the step of washing the hair keratin fibres with a particular composition and subsequently applying to the hair keratin fibres a particular dyeing composition — 2026-05-26 — — CN disclosed
WO-2026039882-A1 METHODS FOR REDUCING COLOR FADING IN COLOR-TREATED HAIR L'OREAL (FR) 2026-02-26 — — WO disclosed
US-20260027027-A1 FRAGRANCED COMPOSITION COMPRISING AT LEAST ONE SULFUR-COMPRISING ANTIOXIDANT COMPOUND, AT LEAST ONE ORGANIC UV SCREENING AGENT AND AT LEAST ONE FRAGRANCING SUBSTANCE OREAL (FR) 2026-01-29 — — US disclosed
US-12533303-B2 Composition for the simultaneous bleaching and dyeing of keratin fibres and process using this composition L'OREAL (FR) 2026-01-27 — — US disclosed
US-20260007583-A1 COMPOSITION FOR LIGHTENING KERATIN FIBRES AND PROCESS FOR LIGHTENING KERATIN FIBRES USING SAID COMPOSITION OREAL (FR) 2026-01-08 — — US disclosed
US-20250381106-A1 COMPOSITION FOR LIGHTENING KERATIN FIBRES AND PROCESS FOR LIGHTENING KERATIN FIBRES USING SAID COMPOSITION OREAL (FR) 2025-12-18 — — US disclosed
US-20250381107-A1 COMPOSITION FOR LIGHTENING KERATIN FIBRES AND PROCESS FOR LIGHTENING KERATIN FIBRES USING SAID COMPOSITION OREAL (FR) 2025-12-18 — — US disclosed
US-20250375361-A1 COMPOSITION FOR LIGHTENING KERATIN FIBRES AND PROCESS FOR LIGHTENING KERATIN FIBRES USING SAID COMPOSITION OREAL (FR) 2025-12-11 — — US disclosed
WO-2022129346-A1 COMPOSITION FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES AND PROCESS EMPLOYING THIS COMPOSITION L'OREAL (FR) 2022-06-23 — — WO disclosed
WO-2022129157-A1 COMPOSITION COMPRISING AT LEAST ONE SILICONE OF FORMULA (I), AT LEAST ONE SILICONE OF FORMULA (II) AND AT LEAST ONE COLORING AGENT L'OREAL (FR) 2022-06-23 — — WO disclosed
WO-2022129347-A1 COMPOSITION FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES AND PROCESS USING THIS COMPOSITION L'OREAL (FR) 2022-06-23 — — WO disclosed
WO-2022129343-A1 PROCESS FOR LIGHTENING KERATIN FIBRES L'OREAL (FR) 2022-06-23 — — WO disclosed
US-20220183944-A1 PROCESS FOR DYEING KERATIN MATERIALS USING A DIRECT DYE AND AN ALIPHATIC AMMONIUM SALT, AND COMPOSITION COMPRISING SAME L'OREAL (FR) 2022-06-16 — — US disclosed
CN-111094474-B Near-infrared-curable ink composition, near-infrared-curable film, method for producing near-infrared-curable film, and method for photo-molding 住友金属矿山株式会社 2022-06-07 — — CN disclosed
CN-114574036-A Ink, method for manufacturing ink, and inkjet system 株式会社理光 2022-06-03 — — CN disclosed
US-20220169877-A1 INK, METHOD FOR PRODUCING INK, AND INKJET SYSTEM RICOH COMPANY, LTD. (JP) 2022-06-02 — — US disclosed
EP-3986366-A1 COMPOSITION COMPRISING AT LEAST ONE ALKOXYSILANE, AT LEAST ONE NON-AMINO SILICONE AND WATER, THE ALKOXYSILANE/NON-AMINO SILICONE MASS RATIO RANGING FROM 95/5 TO 5/95 L'OREAL (FR) 2022-04-27 — — EP disclosed
CN-114340588-A Composition comprising at least one alkoxysilane of formula (I), at least one alkoxysilane of formula (II), at least one non-amino silicone and optionally a pigment and/or direct dye 莱雅公司 2022-04-12 — — CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12533303-B2 Composition for the simultaneous bleaching and dyeing of keratin fibres and process using this composition KRT18, CA12, CA7 THRB 2468/4885APEX1 598/4885APP 2885/4885
US-20260027027-A1 FRAGRANCED COMPOSITION COMPRISING AT LEAST ONE SULFUR-COMPRISING ANTIOXIDANT COMPOUND, AT LEAST ONE ORGANIC UV SCREENING AGENT AND AT LEAST ONE FRAGRANCING SUBSTANCE CBR3, CBR1, ERCC1 THRB 3716/4885APEX1 462/4885APP 2792/4885
US-20250381106-A1 COMPOSITION FOR LIGHTENING KERATIN FIBRES AND PROCESS FOR LIGHTENING KERATIN FIBRES USING SAID COMPOSITION KRT18, VIM, MAP1LC3A THRB 4386/4885APEX1 460/4885APP 1498/4885
US-20260007583-A1 COMPOSITION FOR LIGHTENING KERATIN FIBRES AND PROCESS FOR LIGHTENING KERATIN FIBRES USING SAID COMPOSITION KRT18, F12, VIM THRB 3644/4885APEX1 243/4885APP 2606/4885
US-12636246-B2 Process for colouring hair keratin fibers, comprising the application of a composition comprising at least one (poly)carbodiimide compound and a composition comprising at least one associative polymer and a particular compound KRT18, CYC1, CYBA THRB 1477/4885APEX1 989/4885APP 3927/4885
US-20250375361-A1 COMPOSITION FOR LIGHTENING KERATIN FIBRES AND PROCESS FOR LIGHTENING KERATIN FIBRES USING SAID COMPOSITION KRT18, VIM, MAP1LC3A THRB 4388/4885APEX1 407/4885APP 1578/4885
US-20220183944-A1 PROCESS FOR DYEING KERATIN MATERIALS USING A DIRECT DYE AND AN ALIPHATIC AMMONIUM SALT, AND COMPOSITION COMPRISING SAME KRT18, MARK1, IK THRB 4055/4885APEX1 1217/4885APP 1106/4885
US-20250381107-A1 COMPOSITION FOR LIGHTENING KERATIN FIBRES AND PROCESS FOR LIGHTENING KERATIN FIBRES USING SAID COMPOSITION KRT18, VIM, MAP1LC3A THRB 4273/4885APEX1 392/4885APP 1608/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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