SCHEMBL2179111

SCHEMBL2179111

CCCCCc1ccc(C(=O)Nc2ccc(-c3ccc4c(c3)C(=O)N(C(C(=O)O)C(C)C)C4)c(C(F)(F)F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.41
PLK3 Q9H4B4 1/20 0.41
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
ITGA2 P17301 3/20 0.40
S1PR1 P21453 7/20 0.39
TRPV1 Q8NER1 2/20 0.37
KDM4E B2RXH2 1/20 0.36
S1PR3 Q99500 2/20 0.36
RARB P10826 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGDR2 Q9Y5Y4 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
SCHEMBL13718848 1.00 PLK1 (0.41) PLK1PLK3ITGB3ITGA2BITGA2
SCHEMBL2176983 0.90 RARB (0.45) PLK1PLK3ITGB3ITGA2BITGA2
SCHEMBL2180430 0.90 RARB (0.45) PLK1PLK3ITGB3ITGA2BITGA2
SCHEMBL2177053 0.90 MEN1 (0.45) ITGB3ITGA2BITGA2KDM4ETP53
SCHEMBL13718578 0.90 MEN1 (0.45) ITGB3ITGA2BITGA2KDM4ETP53
SCHEMBL2181140 0.89 RARB (0.44) PLK1PLK3ITGB3ITGA2BITGA2
SCHEMBL2176949 0.89 RARB (0.44) PLK1PLK3ITGB3ITGA2BITGA2
SCHEMBL2180407 0.89 ITGB3 (0.42) PLK1ITGB3ITGA2BITGA2TRPV1
SCHEMBL2180410 0.89 ITGB3 (0.42) PLK1ITGB3ITGA2BITGA2TRPV1
SCHEMBL2179566 0.88 TRPV1 (0.44) ITGB3ITGA2BITGA2TRPV1KDM4E

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 PLK1 1772/4885PLK3 2690/4885ITGB3 4621/4885

“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.