SCHEMBL5040523

SCHEMBL5040523

CCOC(=O)C(Cc1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MAPK1 P28482 4/20 0.54
ALDH1A1 P00352 4/20 0.54
TDP1 Q9NUW8 1/20 0.54
ADAMTS5 Q9UNA0 1/20 0.52
RAB9A P51151 2/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NR3C1 P04150 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA13 Q8N1Q1 1/20 0.45

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
SCHEMBL14307988 0.87 ADAMTS5 (0.67) KMT2AMAPK1ALDH1A1TDP1ADAMTS5
SCHEMBL5041804 0.85 ADAMTS5 (0.55) ALDH1A1ADAMTS5HPGDNR3C1CA12
SCHEMBL11924538 0.83 ALDH1A1 (0.53) KMT2AMAPK1ALDH1A1TDP1ADAMTS5
SCHEMBL5040765 0.82 ADAMTS5 (0.52) KMT2AALDH1A1ADAMTS5HPGDMAPT
SCHEMBL29211682 0.82 KMT2A (0.51) KMT2AMAPK1ALDH1A1TDP1RAB9A
Hydrochloric Acid SCHEMBL5040760 0.81 ADAMTS5 (0.51) KMT2AALDH1A1ADAMTS5HPGDMAPT
SCHEMBL5041194 0.79 BACE1 (0.57) ALDH1A1ADAMTS5MAPTL3MBTL1
SCHEMBL5134084 0.79 BACE1 (0.57) ALDH1A1ADAMTS5MAPTL3MBTL1
SCHEMBL28644268 0.78 ADAMTS5 (0.57) KMT2AALDH1A1ADAMTS5MAPTSMN1; SMN2
SCHEMBL27630561 0.76 ADAMTS5 (0.50) KMT2AMAPK1ALDH1A1TDP1ADAMTS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633354-B1 N-(((((1,3-THIAZOL-2-YL)AMINO)CARBONYL)PHENYL)SULFONYL)PHENYLALANINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF DIABETES INST FOR PHARM DISCOVERY INC (US) 2008-01-23 EP disclosed
EP-1633354-A2 N-(((((1,3-THIAZOL-2-YL)AMINO)CARBONYL)PHENYL)SULFONYL)PHENYLALANINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF DIABETES The Institutes for Pharmaceutical Discovery, LLC (US) 2006-03-15 EP disclosed
US-20040248937-A1 Substituted phenylalkanoic acids for the treatment of diabetes THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2004-12-09 US disclosed
WO-2004092146-A2 N- (((((1,3-THIAZOL-2-YL) AMINO) CARBONYL) PHENYL) SULFONYL) PHENYLALANINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF DIABETES THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-10-28 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 (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-20040248937-A1 Substituted phenylalkanoic acids for the treatment of diabetes PTP4A1, PTPRJ, PPM1B KMT2A 2612/4885MAPK1 346/4885ALDH1A1 123/4885

“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.