SCHEMBL341772

SCHEMBL341772

O=C1C=Cc2ccccc2/C1=N/Nc1ccc2ccccc2c1S(=O)(=O)[O-].[Na+]

nearest known ligand 0.36

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 0.35
CES1 P23141 2/20 0.36
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
BCHE P06276 1/20 0.35
POLB P06746 1/20 0.35
PTPRC P08575 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
IDO1 P14902 1/20 0.35
ALOX15 P16050 1/20 0.35
PTPN1 P18031 1/20 0.35
ACHE P22303 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.35

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
SCHEMBL9106048 0.98 CES1 (0.36) CES1MEN1ALDH1A1LMNAHPGD
SCHEMBL9105169 0.98 CES1 (0.36) CES1MEN1ALDH1A1LMNAHPGD
SCHEMBL9107685 0.98 CES1 (0.36) CES1MEN1ALDH1A1LMNAHPGD
SCHEMBL10021591 0.88 CES1 (0.37) CES1MEN1ALDH1A1LMNAHPGD
SCHEMBL342250 0.82 THRB (0.37) CES1MEN1ALDH1A1LMNAHPGD
SCHEMBL30702588 0.80 KDM4E (0.40) CES1MEN1ALDH1A1LMNAHPGD
SCHEMBL11968417 0.80 KDM4E (0.40) CES1MEN1ALDH1A1LMNAHPGD
SCHEMBL11876684 0.80 KDM4E (0.40) CES1MEN1ALDH1A1LMNAHPGD
SCHEMBL342150 0.78
SCHEMBL2861511 0.76 MAPT (0.39) CES1MEN1ALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250108658-A1 INKJET PRINTING PROCESSES FOR TEMPORARY TATTOOS Prism Inks, Inc. (US) 2025-04-03 US disclosed
EP-3691751-B1 DUAL POLYMER COMPONENT HAIR COLORING COMPOSITION WELLA OPERATIONS US LLC (US) 2024-02-14 EP disclosed
US-20230310300-A1 HAIR COLOURING COMPOSITIONS COMPRISING A BIO-BASED POLYMER AND A CROSSLINKER HFC PRESTIGE SERVICE GERMINY GMBH (DE) 2023-10-05 US disclosed
EP-4171500-A1 HAIR COLOURING COMPOSITIONS COMPRISING A BIO-BASED POLYMER AND A CROSSLINKER Wella Germany GmbH (DE) 2023-05-03 EP disclosed
WO-2022188373-A1 METHOD FOR DETECTING WATER-SOLUBLE ANIONIC SYNTHETIC PIGMENT IN FOOD 广州市食品检验所(广州市酒类检测中心) 2022-09-15 WO disclosed
EP-2710996-B1 Sunscreen compositions comprising colour pigments BASF SE (DE) 2022-08-17 EP disclosed
US-11384033-B2 Compositions with improved urease-inhibiting effect comprising (thio)phosphoric acid triamide and further compounds such as amines and colorants BASF SE (DE) 2022-07-12 US disclosed
US-11324688-B2 Bicomponent composition WELLA INTERNATIONAL OPERATIONS SWI (CH) 2022-05-10 US disclosed
US-20220054392-A1 MULTICOMPONENT IN SITU COLORATION COMPOSITION WELLA INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2022-02-24 US disclosed
US-20220016017-A1 COLOR COATINGS WITH DOWNSTREAM FEATURES HFC PRESTIGE SERVICE GERMANY GMBH (DE) 2022-01-20 US disclosed
EP-3237360-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO) PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS BASF SE (DE) 2017-11-01 EP disclosed
US-20170231889-A1 Sunscreen Compositions Comprising Colour Pigments BASF SE (DE) 2017-08-17 US disclosed
WO-2016103168-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO) PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS BASF SE (DE) 2016-06-30 WO disclosed
EP-2710996-A2 Sunscreen compositions comprising colour pigments BASF SE (DE) 2014-03-26 EP disclosed
US-8268014-B2 Hair dyeing composition BASF SE Ludwigshafen (DE) 2012-09-18 US disclosed
US-8257448-B2 Hair dyeing composition BASF SE (DE) 2012-09-04 US disclosed
US-20120141398-A1 HAIR DYE CONTAINING ONE OR MORE EDIBLE OR COSMETIC COLORS CHUANG KUO SHENG (TW) 2012-06-07 US disclosed
US-20120017931-A1 HAIR DYEING COMPOSITION BASF SE (DE) 2012-01-26 US disclosed
US-20120012128-A1 HAIR DYEING COMPOSITION BASF SE (DE) 2012-01-19 US disclosed
US-20110033400-A1 SUNSCREEN COMPOSITIONS COMPRISING COLOUR PIGMENTS BASF SE (US) 2011-02-10 US 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 (9 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-20120012128-A1 HAIR DYEING COMPOSITION CYC1, CYB5R3, TYR THRB 3510/4885CES1 1648/4885MEN1 1913/4885
US-20110033400-A1 SUNSCREEN COMPOSITIONS COMPRISING COLOUR PIGMENTS TYR, ERCC1, ERCC4 THRB 4299/4885CES1 2439/4885MEN1 1447/4885
US-20220016017-A1 COLOR COATINGS WITH DOWNSTREAM FEATURES KRT18, ITGA5, FLNA THRB 3175/4885CES1 4636/4885MEN1 2431/4885
US-20230310300-A1 HAIR COLOURING COMPOSITIONS COMPRISING A BIO-BASED POLYMER AND A CROSSLINKER KRT18, MKI67, IK THRB 2221/4885CES1 4520/4885MEN1 811/4885
US-20120017931-A1 HAIR DYEING COMPOSITION CYB5R3, CYC1, CYCS THRB 2777/4885CES1 2032/4885MEN1 2016/4885
US-20220054392-A1 MULTICOMPONENT IN SITU COLORATION COMPOSITION KRT18, PRKDC, VIM THRB 3076/4885CES1 4013/4885MEN1 1309/4885
US-11324688-B2 Bicomponent composition KRT18, EXOSC10, EXOSC9 THRB 3674/4885CES1 4881/4885MEN1 1869/4885
US-11384033-B2 Compositions with improved urease-inhibiting effect comprising (thio)phosphoric acid triamide and further compounds such as amines and colorants SLC14A1, XDH, PNP THRB 972/4885CES1 407/4885MEN1 4263/4885
US-20170231889-A1 Sunscreen Compositions Comprising Colour Pigments TYR, ERCC1, ERCC4 THRB 4299/4885CES1 2439/4885MEN1 1447/4885

“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.