SCHEMBL2297230

SCHEMBL2297230

CC(C)[C@H](NC(=O)c1csc(-c2ccc(NC(=O)Nc3ccc4c(c3)CCC4)cc2)n1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
DGAT1 O75907 2/20 0.47
CSGALNACT1 Q8TDX6 10/20 0.46
POLB P06746 3/20 0.46

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
SCHEMBL2297235 1.00 NPC1 (0.47) NPC1RAB9AMEN1KMT2ADGAT1
SCHEMBL3268295 0.91 NPC1 (0.48) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL2300968 0.91 NPC1 (0.47) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL2300971 0.91 NPC1 (0.47) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL2300059 0.85 DGAT1 (0.64) DGAT1CSGALNACT1
SCHEMBL2300052 0.85 DGAT1 (0.64) DGAT1CSGALNACT1
SCHEMBL2296574 0.84 CSGALNACT1 (0.64) DGAT1CSGALNACT1
SCHEMBL2296570 0.84 CSGALNACT1 (0.64) DGAT1CSGALNACT1
SCHEMBL1756399 0.84 DGAT1 (0.51) NPC1RAB9AMEN1KMT2ADGAT1
SCHEMBL1756409 0.84 DGAT1 (0.51) NPC1RAB9AMEN1KMT2ADGAT1

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 NPC1 436/4885RAB9A 3753/4885MEN1 4530/4885

“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.