SCHEMBL1770946

SCHEMBL1770946

CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.47
PPARG P37231 8/20 0.47
MAPK1 P28482 1/20 0.44
EGLN2 Q96KS0 1/20 0.44
PPARD Q03181 2/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
ACE P12821 1/20 0.42
ITGAV P06756 1/20 0.41
F10 P00742 1/20 0.41
CTSS P25774 2/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 1/20 0.41

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
SCHEMBL1770948 1.00 PPARA (0.47) PPARAPPARGMAPK1EGLN2PPARD
SCHEMBL1770705 0.90 MAPK1 (0.43) PPARAPPARGMAPK1KDM4ENPC1
SCHEMBL1770707 0.90 MAPK1 (0.43) PPARAPPARGMAPK1KDM4ENPC1
SCHEMBL1770918 0.83 F10 (0.48) F10
SCHEMBL20560085 0.82 F10 (0.53) MAPK1LMNAF10
SCHEMBL1770395 0.82 F10 (0.53) MAPK1LMNAF10
SCHEMBL5626363 0.80 ITGB3 (0.63) PPARAPPARGEGLN2ITGB3ITGA2B
SCHEMBL5626356 0.80 ITGB3 (0.63) PPARAPPARGEGLN2ITGB3ITGA2B
SCHEMBL1771149 0.78 PPARA (0.43) PPARAPPARGEGLN2PPARDACE
SCHEMBL1771151 0.78 PPARA (0.43) PPARAPPARGEGLN2PPARDACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637479-B2 Tartrate salt of 5-chloro-thiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxo-pyrrolidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]amide SANOFI (FR) 2017-05-02 US disclosed
US-9637479-B2 Tartrate salt of 5-chloro-thiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxo-pyrrolidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]amide SANOFI (FR) 2017-05-02 US disclosed
US-20160102082-A1 TARTRATE SALT OF 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [(S)-2-[METHYL-3-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONYLAMINO]-3-(4-METHYL-PIPERAZIN-1-YL)-3-OXO-PROPYL]AMIDE BEIJING COLLAB PHARM CO., LTD. (CN) 2016-04-14 US disclosed
US-8378092-B2 Chlorothiophene-amides as inhibitors of coagulation factors Xa and thrombin SANOFI (FR) 2013-02-19 US disclosed
EP-2254881-B1 CHLOROTHIOPHENE-AMIDES AS INHIBITORS OF COAGULATION FACTORS XA AND THROMBIN SANOFI SA (FR) 2012-09-12 EP disclosed
US-20110112075-A1 CHLOROTHIOPHENE-AMIDES AS INHIBITORS OF COAGULATION FACTORS XA AND THROMBIN SANOFI-AVENTIS (FR) 2011-05-12 US disclosed
US-20070179122-A1 Beta-Aminoacid-Derivatives As Factor Xa Inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-02 US disclosed
EP-1723164-A1 BETA-AMINOACID-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-11-22 EP disclosed
WO-2005095440-A1 BETA-AMINOACID-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-10-13 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 (3 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-20160102082-A1 TARTRATE SALT OF 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [(S)-2-[METHYL-3-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONYLAMINO]-3-(4-METHYL-PIPERAZIN-1-YL)-3-OXO-PROPYL]AMIDE CPS1, ACP3, ACP1 PPARA 88/4885PPARG 154/4885MAPK1 2423/4885
US-20110112075-A1 CHLOROTHIOPHENE-AMIDES AS INHIBITORS OF COAGULATION FACTORS XA AND THROMBIN F12, F3, F2 PPARA 3722/4885PPARG 3634/4885MAPK1 3632/4885
US-20070179122-A1 Beta-Aminoacid-Derivatives As Factor Xa Inhibitors F12, F11, F5 PPARA 3274/4885PPARG 2913/4885MAPK1 2587/4885

“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.