SCHEMBL2177029

SCHEMBL2177029

Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1-c1ccc2c(c1)C(=O)N([C@H](C(=O)O)C(C)C)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
ITGA2 P17301 2/20 0.44
NR1H4 Q96RI1 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK14 Q16539 1/20 0.42
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SDCBP O00560 3/20 0.40
SDC2 P34741 3/20 0.40
LMNA P02545 3/20 0.40
THRB P10828 1/20 0.40
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KCNK9 Q9NPC2 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
SCHEMBL2177038 1.00 ITGB3 (0.44) ITGB3ITGA2BITGA2NR1H4MEN1
SCHEMBL2180099 0.91 SDCBP (0.46) ITGB3ITGA2BITGA2KMT2ATP53
SCHEMBL2226151 0.91 SDCBP (0.46) ITGB3ITGA2BITGA2KMT2ATP53
SCHEMBL2180046 0.91 DHODH (0.49) ITGB3ITGA2BITGA2NR1H4MEN1
SCHEMBL2176987 0.91 DHODH (0.49) ITGB3ITGA2BITGA2NR1H4MEN1
SCHEMBL2179156 0.91 ITGB3 (0.43) ITGB3ITGA2BITGA2NR1H4MEN1
SCHEMBL2179161 0.91 ITGB3 (0.43) ITGB3ITGA2BITGA2NR1H4MEN1
SCHEMBL2181046 0.90 NR1H4 (0.47) ITGB3ITGA2BITGA2NR1H4MEN1
SCHEMBL2181128 0.90 NR1H4 (0.47) ITGB3ITGA2BITGA2NR1H4MEN1
SCHEMBL2179057 0.90 NR1H4 (0.46) ITGB3ITGA2BITGA2NR1H4MEN1

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 ITGB3 4621/4885ITGA2B 4607/4885ITGA2 4531/4885

“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.