SCHEMBL2301295

SCHEMBL2301295

COC(=O)[C@@H](NC(=O)c1nc(-c2ccc(NC(=O)Nc3ccccc3F)cc2)no1)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.52
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 2/20 0.47
CSGALNACT1 Q8TDX6 10/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
KIT P10721 1/20 0.44
KDR P35968 1/20 0.44
FLT3 P36888 1/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL2301292 1.00 DGAT1 (0.52) DGAT1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL2298380 0.92 DGAT1 (0.62) DGAT1CSGALNACT1
SCHEMBL2298368 0.92 DGAT1 (0.62) DGAT1CSGALNACT1
SCHEMBL2296122 0.91 DGAT1 (0.43) DGAT1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2296119 0.91 DGAT1 (0.43) DGAT1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2299047 0.89 CSGALNACT1 (0.60) DGAT1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL2298788 0.89 CSGALNACT1 (0.54) DGAT1SMN1; SMN2MAPTPOLBCSGALNACT1
SCHEMBL2298791 0.89 CSGALNACT1 (0.54) DGAT1SMN1; SMN2MAPTPOLBCSGALNACT1
SCHEMBL2296821 0.86 CSGALNACT1 (0.53) DGAT1SMN1; SMN2MAPTCSGALNACT1MEN1
SCHEMBL2296824 0.86 CSGALNACT1 (0.53) DGAT1SMN1; SMN2MAPTCSGALNACT1MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110196002-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED. 2011-08-11 US claimed
WO-2010023609-A1 OXAZOLE, OXADIAZOLE AND THIAZOLE DERIVATIVES AS DIACYLGLYCEROL ACYLTRANFERASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-03-04 WO claimed
US-8835428-B2 Diacylglycerol acyltransferase inhibitors Piramal Enterprises Limited (IN) 2014-09-16 US disclosed
US-20110196002-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED. 2011-08-11 US disclosed
WO-2010023609-A1 OXAZOLE, OXADIAZOLE AND THIAZOLE DERIVATIVES AS DIACYLGLYCEROL ACYLTRANFERASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-03-04 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-20110196002-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, DLAT DGAT1 1/4885NPC1 436/4885RAB9A 3753/4885

“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.