SCHEMBL8745461

SCHEMBL8745461

Nc1ccc(N)c(S(=O)(=O)CCOS(=O)(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
RECQL P46063 4/20 0.42
HSD17B10 Q99714 3/20 0.42
TSHR P16473 3/20 0.42
THRB P10828 2/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
RAPGEF4 Q8WZA2 1/20 0.36
CA2 P00918 2/20 0.36
TDP1 Q9NUW8 4/20 0.35
MAPT P10636 4/20 0.35
POLB P06746 3/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
CASP6 P55212 2/20 0.35
APEX1 P27695 2/20 0.35
NSD2 O96028 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
SCHEMBL8951824 0.89 HSD17B10 (0.37) ALDH1A1RECQLHSD17B10TSHRTHRB
SCHEMBL9811303 0.87 CA2 (0.45) ALDH1A1RECQLHSD17B10TSHRTHRB
SCHEMBL9682315 0.86 RAPGEF4 (0.42) ALDH1A1RECQLHSD17B10TSHRTHRB
SCHEMBL9558736 0.86 CA2 (0.41) ALDH1A1HSD17B10THRBCA2MAPT
SCHEMBL9809387 0.86 RAPGEF4 (0.42) ALDH1A1RECQLHSD17B10TSHRTHRB
SCHEMBL8008676 0.84 ALDH1A1 (0.44) ALDH1A1RECQLHSD17B10TSHRTHRB
SCHEMBL6937844 0.84 L3MBTL1 (0.40) ALDH1A1RECQLHSD17B10TSHRTHRB
SCHEMBL10948058 0.84 HSD17B10 (0.38) ALDH1A1RECQLHSD17B10TSHRTHRB
SCHEMBL5675279 0.84 CYP3A4 (0.36) ALDH1A1RECQLHSD17B10TSHRTHRB
SCHEMBL6878401 0.82 ALDH1A1 (0.39) ALDH1A1RECQLTHRBCYP3A4CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 US disclosed
WO-1997043345-A1 REACTIVE AZO DYES WITH A REACTIVE-ANCHOR-CARRYING DIAZO COMPONENT FROM THE SERIES OF M-PHENYLENE DIAMINE ZAMPONI, ANDREA 1997-11-20 WO disclosed
EP-0694588-A1 Triphendioxazine reactive dyes, preparation and use thereof BAYER AG (DE) 1996-01-31 EP disclosed
US-5453501-A Phthalocyanine reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1995-09-26 US disclosed
EP-0582886-A1 Phthalocyanine reactive dyes BAYER AG (DE) 1994-02-16 EP disclosed
EP-0356681-B1 DISAZO DYES BAYER AG (DE) 1993-05-19 EP disclosed
EP-0357915-B1 DISAZO DYES BAYER AG (DE) 1993-04-28 EP disclosed
US-5003053-A Water-soluble monoazo compounds containing a p-aminophenylamino- and chloro- or fluoro-substituted triazinylamino group and a fiber-reactive group selected from the vinylsulfone series, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-26 US disclosed
EP-0357915-A1 Disazo dyes BAYER AG (DE) 1990-03-14 EP disclosed
EP-0356681-A1 Disazo dyes BAYER AG (DE) 1990-03-07 EP disclosed
EP-0279351-A2 Water soluble azo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-24 EP 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 (1 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-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION KRT18, ARSA, SQOR ALDH1A1 440/4885RECQL 3312/4885HSD17B10 529/4885

“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.