SCHEMBL2179327

SCHEMBL2179327

CC(C)[C@@H](C(=O)O)N1Cc2ccc(-c3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)cc3F)cc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.45
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
ITGA2 P17301 2/20 0.44
SDCBP O00560 4/20 0.43
SDC2 P34741 4/20 0.43
LMNA P02545 2/20 0.42
THRB P10828 1/20 0.42
TP53 P04637 1/20 0.42
CREBBP Q92793 1/20 0.41
MAP3K5 Q99683 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL13718750 1.00 MCHR1 (0.45) MCHR1ITGB3ITGA2BITGA2SDCBP
SCHEMBL2181078 0.92 SDCBP (0.46) ITGB3ITGA2BITGA2SDCBPSDC2
SCHEMBL2178548 0.92 SDCBP (0.46) ITGB3ITGA2BITGA2SDCBPSDC2
SCHEMBL2179156 0.91 ITGB3 (0.43) ITGB3ITGA2BITGA2SDCBPSDC2
SCHEMBL2179161 0.91 ITGB3 (0.43) ITGB3ITGA2BITGA2SDCBPSDC2
SCHEMBL2180099 0.90 SDCBP (0.46) MCHR1ITGB3ITGA2BITGA2SDCBP
SCHEMBL2226151 0.90 SDCBP (0.46) MCHR1ITGB3ITGA2BITGA2SDCBP
SCHEMBL2178118 0.90 LMNA (0.48) MCHR1ITGB3ITGA2BITGA2SDCBP
SCHEMBL2180113 0.90 LMNA (0.48) MCHR1ITGB3ITGA2BITGA2SDCBP
SCHEMBL13719015 0.90 LMNA (0.48) MCHR1ITGB3ITGA2BITGA2SDCBP

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 MCHR1 4705/4885ITGB3 4621/4885ITGA2B 4607/4885

“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.