SCHEMBL29625848

SCHEMBL29625848

Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1N=Nc1ccccc1C(F)(F)F.[Na+]

nearest known ligand 0.64

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 0.64
▸ PTPN11 Q06124 1/20 0.47
▸ APP P05067 1/20 0.45
▸ ENPP2 Q13822 2/20 0.44
▸ CYP1A2 P05177 3/20 0.43
▸ DUSP5 Q16690 2/20 0.43
▸ PTPN1 P18031 4/20 0.42
▸ SUMO2 P61956 1/20 0.42
▸ SUMO1 P63165 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP2 Q9HC62 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ GRK2 P25098 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PLEC Q15149 1/20 0.42
▸ USP2 O75604 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL11502898 0.90 ENPP2 (0.55) APEX1PTPN11ENPP2CYP1A2SUMO2
SCHEMBL11502899 0.90 ENPP2 (0.55) APEX1PTPN11ENPP2CYP1A2SUMO2
SCHEMBL29625854 0.87 APEX1 (0.63) APEX1PTPN11APPENPP2CYP1A2
SCHEMBL29533645 0.82 APEX1 (0.70) APEX1APPENPP2CYP1A2DUSP5
SCHEMBL14133924 0.81 MEN1 (0.44) APEX1PTPN11ENPP2CYP1A2SUMO2
SCHEMBL11317610 0.79 APEX1 (0.65) APEX1APPENPP2CYP1A2DUSP5
SCHEMBL11670477 0.78 APEX1 (1.00) APEX1APPENPP2CYP1A2DUSP5
SCHEMBL29623460 0.78 APEX1 (1.00) APEX1APPENPP2CYP1A2DUSP5
SCHEMBL11670218 0.77 APEX1 (0.66) APEX1APPENPP2CYP1A2DUSP5
SCHEMBL30434277 0.77 APEX1 (0.66) APEX1APPENPP2CYP1A2DUSP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310285-A1 DEVELOPER COMPOSITION COMPRISING DIRECT DYE L'OREAL (FR) 2023-10-05 — — US claimed
WO-2023192788-A1 DEVELOPER COMPOSITION COMPRISING DIRECT DYE L'OREAL (FR) 2023-10-05 — — WO claimed
CN-110761091-B Water-soluble cross-linking color fixing agent with ultraviolet absorption function and preparation method thereof 浙江理工大学上虞工业技术研究院有限公司 2022-10-11 — — CN claimed
US-20250051975-A1 SYSTEMS AND METHODS FOR PRODUCING A BUNDLE OF FILAMENTS AND/OR A YARN ALADDIN MANUFACTURING CORPORATION 2025-02-13 — — US disclosed
US-20250051968-A1 SYSTEMS AND METHODS FOR PRODUCING A BUNDLE OF FILAMENTS AND/OR A YARN ALADDIN MANUFACTURING CORPORATION 2025-02-13 — — US disclosed
WO-2025014926-A1 COMPOSITIONS AND METHODS FOR PERMANENTLY OR REVERSIBLY COLORING FIBERS AND TEXTILES TANDEM REPEAT TECHNOLOGIES, INC. (US) 2025-01-16 — — WO disclosed
US-20250011973-A1 SYSTEMS & METHODS FOR PRODUCING A BUNDLE OF A COMBINATION OF FILAMENTS AND/OR A YARN ALADDIN MANUFACTURING CORPORATION 2025-01-09 — — US disclosed
US-12116292-B2 Plasma-based water treatment apparatus Karadag, Burak (GB) 2024-10-15 — — US disclosed
CN-118414456-A System and method for producing filament bundles and/or yarns 美国阿拉丁制造公司 2024-07-30 — — CN disclosed
US-20240077489-A1 STYRYL PHENOLS, DERIVATIVES AND THEIR USE IN METHODS OF ANALYTE DETECTION AAT BIOQUEST, INC. 2024-03-07 — — US disclosed
US-20240052540-A1 MULTICOLORED TUFTED TEXTILES AND METHODS OF MAKING THE SAME ALADDIN MANUFACTURING CORPORATION 2024-02-15 — — US disclosed
US-11730694-B1 Hair coloring compositions and methods L'OREAL (FR) 2023-08-22 — — US disclosed
WO-2023112533-A1 POLARIZING SHEET 三菱瓦斯化学株式会社 2023-06-22 — — WO disclosed
WO-2023111759-A1 SYSTEMS AND METHODS FOR PRODUCING A BUNDLE OF FILAMENTS AND/OR A YARN ALADDIN MANUFACTURING CORPORATION (US) 2023-06-22 — — WO disclosed
WO-2023111758-A1 SYSTEMS AND METHODS FOR PRODUCING A BUNDLE OF FILAMENTS AND/OR A YARN ALADDIN MANUFACTURING CORPORATION (US) 2023-06-22 — — WO disclosed
EP-2950122-B1 COLORED LOW-POLARIZATION FILM, COLORED LOW-POLARIZATION SHEET, LENS AND METHOD FOR MANUFACTURING SAME MITSUBISHI GAS CHEMICAL CO (JP) 2023-04-26 — — EP disclosed
WO-2023063280-A1 FILM UNDERFILL MATERIAL, RESIN COMPOSITION FOR FILM UNDERFILL MATERIAL, METHOD FOR MANUFACTURING SEMICONDUCTOR CHIP WITH RESIN COMPOSITION LAYER USING FILM UNDERFILL MATERIAL, METHOD FOR MANUFACTURING SUBSTRATE FOR MOUNTING SEMICONDUCTOR CHIP WITH RESIN COMPOSITION LAYER, AND METHOD FOR MANUFACTURING SEMICONDUCTOR DEVICE 三菱瓦斯化学株式会社 2023-04-20 — — WO disclosed
CN-110776493-B Water-soluble cross-linking color fixing agent with light stabilization function and preparation method thereof 金华双宏化工有限公司 2022-10-21 — — CN disclosed
CN-110761091-B Water-soluble cross-linking color fixing agent with ultraviolet absorption function and preparation method thereof 浙江理工大学上虞工业技术研究院有限公司 2022-10-11 — — CN disclosed
WO-2022132965-A1 MULTICOLORED TUFTED TEXTILES AND METHODS OF MAKING THE SAME ALADDIN MANUFACTURING CORPORATION (US) 2022-06-23 — — WO 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 (3 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-20240077489-A1 STYRYL PHENOLS, DERIVATIVES AND THEIR USE IN METHODS OF ANALYTE DETECTION STUB1, SPR, HLCS THRB 309/4885APEX1 297/4885PTPN11 2736/4885
US-20230310285-A1 DEVELOPER COMPOSITION COMPRISING DIRECT DYE TYR, CYB5R3, POLR1C THRB 3735/4885APEX1 58/4885PTPN11 3567/4885
US-11730694-B1 Hair coloring compositions and methods AGPS, UGT8, ALPG THRB 4569/4885APEX1 1400/4885PTPN11 784/4885

“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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