SCHEMBL2178629

SCHEMBL2178629

CC(C)C(C(=O)O)N1Cc2ccc(-c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3C(F)(F)F)cc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
ITGA2 P17301 3/20 0.42
TRPV1 Q8NER1 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NR1H4 Q96RI1 1/20 0.40
RXFP1 Q9HBX9 1/20 0.38
S1PR1 P21453 3/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DGAT1 O75907 1/20 0.38
KCNK9 Q9NPC2 1/20 0.37
MAPK14 Q16539 2/20 0.37
S1PR3 Q99500 2/20 0.37

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
SCHEMBL2178623 1.00 ITGB3 (0.42) ITGB3ITGA2BITGA2TRPV1MEN1
SCHEMBL13718844 0.93 S1PR1 (0.44) ITGB3ITGA2BITGA2MEN1KMT2A
SCHEMBL2224457 0.93 S1PR1 (0.44) ITGB3ITGA2BITGA2MEN1KMT2A
SCHEMBL2179161 0.90 ITGB3 (0.43) ITGB3ITGA2BITGA2TRPV1MEN1
SCHEMBL2179156 0.90 ITGB3 (0.43) ITGB3ITGA2BITGA2TRPV1MEN1
SCHEMBL2177038 0.89 ITGB3 (0.44) ITGB3ITGA2BITGA2TRPV1MEN1
SCHEMBL2177029 0.89 ITGB3 (0.44) ITGB3ITGA2BITGA2TRPV1MEN1
SCHEMBL2180046 0.88 DHODH (0.49) ITGB3ITGA2BITGA2TRPV1MEN1
SCHEMBL2176987 0.88 DHODH (0.49) ITGB3ITGA2BITGA2TRPV1MEN1
SCHEMBL13719612 0.88 AKR1C3 (0.44) ITGB3ITGA2BITGA2MEN1KMT2A

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-8748426-B2 Inhibitors of diacylglycerol acyl transferase Piramal Enterprises Limited (IN) 2014-06-10 US claimed
US-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Enterprises Limited (IN) 2012-11-15 US claimed
EP-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP claimed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 WO claimed
US-8748426-B2 Inhibitors of diacylglycerol acyl transferase Piramal Enterprises Limited (IN) 2014-06-10 US disclosed
US-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Enterprises Limited (IN) 2012-11-15 US disclosed
EP-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP disclosed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 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-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE DGAT1, DGAT2, LCAT ITGB3 4621/4885ITGA2B 4607/4885ITGA2 4531/4885

“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.