SCHEMBL2176996

SCHEMBL2176996

CC(C)[C@@H](C(=O)O)N1Cc2ccc(-c3ccc(NC(=O)c4ccc5ccccc5c4)cn3)cc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
ITGA2 P17301 1/20 0.42
MAP3K5 Q99683 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
TMPRSS2 O15393 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SDCBP O00560 1/20 0.40
SDC2 P34741 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PLAU P00749 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
SCHEMBL2181152 1.00 DGAT1 (0.42) DGAT1PTPN2PTPN1ITGB3ITGA2B
SCHEMBL13718837 0.92 PTPN1 (0.47) DGAT1PTPN2PTPN1ITGB3ITGA2B
SCHEMBL2177652 0.92 PTPN1 (0.47) DGAT1PTPN2PTPN1ITGB3ITGA2B
SCHEMBL2179088 0.89 PLAU (0.48) DGAT1ITGB3ITGA2BITGA2LMNA
SCHEMBL13718914 0.89 PLAU (0.48) DGAT1ITGB3ITGA2BITGA2LMNA
SCHEMBL2178609 0.87 DGAT1 (0.43) DGAT1PTPN2PTPN1ITGB3ITGA2B
SCHEMBL2178734 0.87 DGAT1 (0.43) DGAT1PTPN2PTPN1ITGB3ITGA2B
SCHEMBL2179919 0.85 MEN1 (0.43) DGAT1ITGB3ITGA2BITGA2LMNA
SCHEMBL13719175 0.85 MEN1 (0.43) DGAT1ITGB3ITGA2BITGA2LMNA
SCHEMBL2181050 0.84 PTPN2 (0.40) DGAT1PTPN2PTPN1LMNATP53

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 DGAT1 1/4885PTPN2 2343/4885PTPN1 2065/4885

“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.