SCHEMBL2180779

SCHEMBL2180779

COc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)ccc1-c1ccc2c(c1)C(=O)N([C@H](C(=O)O)C(C)C)C2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.46
THRB P10828 1/20 0.46
TRPV1 Q8NER1 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KCNH2 Q12809 1/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
ITGA2 P17301 2/20 0.42
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
NAMPT P43490 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
ABCB1 P08183 1/20 0.40
MCHR1 Q99705 1/20 0.40

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
SCHEMBL2180891 1.00 ABL1 (0.46) ABL1THRBTRPV1NPC1RAB9A
SCHEMBL2177760 0.91 THRB (0.47) ABL1THRBTRPV1NPC1RAB9A
SCHEMBL2177596 0.91 THRB (0.47) ABL1THRBTRPV1NPC1RAB9A
SCHEMBL2178194 0.91 THRB (0.47) ABL1THRBTRPV1NPC1RAB9A
SCHEMBL2177763 0.91 THRB (0.47) ABL1THRBTRPV1NPC1RAB9A
SCHEMBL2178821 0.91 THRB (0.46) ABL1THRBTRPV1NPC1RAB9A
SCHEMBL2177012 0.91 THRB (0.46) ABL1THRBTRPV1NPC1RAB9A
SCHEMBL2177379 0.90 THRB (0.52) ABL1THRBTRPV1KCNH2LMNA
SCHEMBL2179525 0.90 THRB (0.52) ABL1THRBTRPV1KCNH2LMNA
SCHEMBL2179057 0.89 NR1H4 (0.46) THRBLMNATP53ITGB3ITGA2B

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 ABL1 1175/4885THRB 2612/4885TRPV1 2047/4885

“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.