SCHEMBL13201111

SCHEMBL13201111

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NC1Cc2ccc(S(=O)(=O)Nc3nnc(C4CC4)s3)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.47
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
PPARG P37231 3/20 0.42
PPARD Q03181 2/20 0.42
CHRM4 P08173 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
MOGAT2 Q3SYC2 1/20 0.38
GHSR Q92847 1/20 0.38
APOB P04114 1/20 0.38
MTTP P55157 1/20 0.38

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
SCHEMBL12585975 0.88 PPARA (0.47) PPARAALDH1A1NPC1GAAPPARG
SCHEMBL1972422 0.88 APOB (0.38) PPARAALDH1A1HSD17B10KMT2APKM
SCHEMBL1970410 0.78 ALDH1A1 (0.40) ALDH1A1HSD17B10KMT2APKMALOX15
SCHEMBL1969616 0.77 ALDH1A1 (0.38) PPARAALDH1A1HSD17B10MOGAT2APOB
SCHEMBL1972903 0.75 ALDH1A1 (0.44) ALDH1A1HSD17B10KMT2APKMALOX15
SCHEMBL3402398 0.71 NPC1 (0.62) PPARAALDH1A1NPC1GAAPPARG
SCHEMBL293567 0.71 KMT2A (0.45) ALDH1A1HSD17B10KMT2A
SCHEMBL1973492 0.70 USP2 (0.50) KMT2A
SCHEMBL1970658 0.70 CA1 (0.54) ALDH1A1HSD17B10KMT2APKM
SCHEMBL1971448 0.70 ALDH1A1 (0.41) ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772257-B2 Bicyclic aryl-sulfonic acid [1,3,4]-thiadiazol-2-yl-amides, processes for their preparation, pharmaceutical compositions and methods for their use SANOFI-AVENTIS (FR) 2010-08-10 US disclosed
US-7772257-B2 Bicyclic aryl-sulfonic acid [1,3,4]-thiadiazol-2-yl-amides, processes for their preparation, pharmaceutical compositions and methods for their use SANOFI-AVENTIS (FR) 2010-08-10 US disclosed
US-20100022603-A1 BICYCLIC ARYL-SULFONIC ACID [1,3,4]-THIADIAZOL-2-YL-AMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE SANOFI-AVENTIS (FR) 2010-01-28 US disclosed
US-20100022603-A1 BICYCLIC ARYL-SULFONIC ACID [1,3,4]-THIADIAZOL-2-YL-AMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE SANOFI-AVENTIS (FR) 2010-01-28 US disclosed
US-7612104-B2 Bicyclic aryl-sulfonic acid [1,3,4]-thiadiazol-2-yl-amides, processes for their preparation, pharmaceutical compositions and methods for their use SANOFI-AVENTIS (FR) 2009-11-03 US disclosed
US-7612104-B2 Bicyclic aryl-sulfonic acid [1,3,4]-thiadiazol-2-yl-amides, processes for their preparation, pharmaceutical compositions and methods for their use SANOFI-AVENTIS (FR) 2009-11-03 US disclosed
US-20080293780-A1 BICYCLIC ARYL-SULFONIC ACID [1,3,4]-THIADIAZOL-2-YL-AMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE SANOFI-AVENTIS (FR) 2008-11-27 US disclosed
US-20080293780-A1 BICYCLIC ARYL-SULFONIC ACID [1,3,4]-THIADIAZOL-2-YL-AMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE SANOFI-AVENTIS (FR) 2008-11-27 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-20080293780-A1 BICYCLIC ARYL-SULFONIC ACID [1,3,4]-THIADIAZOL-2-YL-AMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE PPARG, PPARA, PPARD PPARA 2/4885ALDH1A1 1019/4885NPC1 1054/4885
US-20100022603-A1 BICYCLIC ARYL-SULFONIC ACID [1,3,4]-THIADIAZOL-2-YL-AMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE PPARG, PPARA, PPARD PPARA 2/4885ALDH1A1 1072/4885NPC1 1038/4885

“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.