SCHEMBL2177299

SCHEMBL2177299

CCCCCc1ccc(C(=O)Nc2ccc(-c3ccc4c(c3)C(=O)N([C@H](C(=O)O)C(C)C)C4)nn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.40
CYSLTR2 Q9NS75 5/20 0.36
CYSLTR1 Q9Y271 5/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
ITGA2 P17301 1/20 0.36
SDCBP O00560 1/20 0.36
SDC2 P34741 1/20 0.36
PLK1 P53350 10/20 0.35
PLK3 Q9H4B4 5/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL2177305 1.00 MAP3K5 (0.40) MAP3K5CYSLTR2CYSLTR1ITGB3ITGA2B
SCHEMBL2283333 0.89 SDCBP (0.36) MAP3K5SDCBPSDC2
SCHEMBL2178926 0.89 NPC1 (0.38) MAP3K5ITGB3ITGA2BITGA2SDCBP
SCHEMBL2178932 0.89 NPC1 (0.38) MAP3K5ITGB3ITGA2BITGA2SDCBP
SCHEMBL2178354 0.88 GCK (0.38) MAP3K5ITGB3ITGA2BITGA2SDCBP
SCHEMBL2181260 0.87 TRPV1 (0.42) ITGB3ITGA2BITGA2PLK1TRPV1
SCHEMBL13719176 0.87 TRPV1 (0.42) ITGB3ITGA2BITGA2PLK1TRPV1
SCHEMBL2179566 0.86 TRPV1 (0.44) ITGB3ITGA2BITGA2SDCBPSDC2
SCHEMBL2179559 0.86 TRPV1 (0.44) ITGB3ITGA2BITGA2SDCBPSDC2
SCHEMBL2178885 0.86 MAP3K5 (0.42) MAP3K5ITGB3ITGA2BITGA2SDCBP

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 MAP3K5 2168/4885CYSLTR2 1676/4885CYSLTR1 1806/4885

“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.