SCHEMBL10017872

SCHEMBL10017872

Nc1c(S(=O)(=O)O)cc(Nc2cccc(S(=O)(=O)CCO)c2)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 5/20 0.76
GNB1 P62873 5/20 0.76
CYP1A2 P05177 2/20 0.76
CYP2C9 P11712 2/20 0.76
ALOX15 P16050 2/20 0.76
HSD17B10 Q99714 2/20 0.76
PHLPP2 Q6ZVD8 2/20 0.76
ALDH1A1 P00352 1/20 0.76
CYP3A4 P08684 1/20 0.76
HPGD P15428 1/20 0.76
MAPK1 P28482 1/20 0.76
CYP2C19 P33261 1/20 0.76
HIF1A Q16665 1/20 0.76
P2RY4 P51582 8/20 0.67
CHAT P28329 3/20 0.59
ENPP3 O14638 1/20 0.59
ENPP1 P22413 1/20 0.59
P2RY2 P41231 4/20 0.55
P2RY12 Q9H244 4/20 0.55
P2RY6 Q15077 3/20 0.54

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
SCHEMBL11598798 0.99 GNG2 (0.74) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL19708510 0.92 GNG2 (0.76) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL11233506 0.90 P2RY4 (0.68) P2RY4P2RY2P2RY12P2RY6CDK2
SCHEMBL13290349 0.90 GNG2 (0.78) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL2687745 0.89 GNG2 (0.71) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL30870099 0.89 GNG2 (0.71) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL14528558 0.88 GNG2 (0.70) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL9176117 0.88 GNG2 (0.70) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL19921893 0.88 GNG2 (0.70) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL13214229 0.88 GNG2 (0.87) GNG2GNB1CYP1A2CYP2C9ALOX15

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4351765-A Process for the production of compounds having in the molecule at least one β-sulfatoethyl-sulfone group and at least one sulfonic acid group SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-09-28 US claimed
EP-2238205-B1 BLUE POLYMERIC HAIR DYES BASF SE (DE) 2018-06-27 EP disclosed
EP-2789657-B1 FUCHSIN DYE, PREPARATION METHOD AND USE THEREOF UNIV DALIAN TECH (CN) 2016-06-01 EP disclosed
EP-2682433-B1 CARBONYLPROPYLSULFONYL ANTHRACENE PYRIDONE SULFONIC ACID COMPOUND AND PREPARATION METHOD AND USE THEREOF UNIV DALIAN TECH (CN) 2015-06-03 EP disclosed
US-9011589-B2 Magenta dyes and their preparation methods and applications DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2015-04-21 US disclosed
EP-2682433-A1 CARBONYLPROPYLSULFONYL ANTHRACENE PYRIDONE SULFONIC ACID COMPOUND AND PREPARATION METHOD AND USE THEREOF Dalian University Of Technology (CN) 2014-01-08 EP disclosed
US-8206464-B2 Blue polymeric hair dyes BASF SE (DE) 2012-06-26 US disclosed
US-8206464-B2 Blue polymeric hair dyes BASF SE (DE) 2012-06-26 US disclosed
US-8118882-B2 Polymeric hair dyes BASF SE (DE) 2012-02-21 US disclosed
US-20110061179-A1 BLUE POLYMERIC HAIR DYES BASF SE (US) 2011-03-17 US disclosed
US-20110061179-A1 BLUE POLYMERIC HAIR DYES BASF SE (US) 2011-03-17 US disclosed
US-20110061180-A1 POLYMERIC HAIR DYES BASF SE (US) 2011-03-17 US disclosed
US-4450114-A Process for production of sulfuric acid semiesters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-22 US disclosed
US-4351765-A Process for the production of compounds having in the molecule at least one β-sulfatoethyl-sulfone group and at least one sulfonic acid group SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-09-28 US disclosed
US-4315865-A PREPARING DYES HOECHST AKTIENGESELLSCHAFT (DE) 1982-02-16 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 (2 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-20110061180-A1 POLYMERIC HAIR DYES SRM, SMOX, POLR1C GNG2 1641/4885GNB1 2173/4885CYP1A2 4119/4885
US-20110061179-A1 BLUE POLYMERIC HAIR DYES CUTA, IK, TYR GNG2 1133/4885GNB1 2305/4885CYP1A2 2307/4885

“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.