SCHEMBL2298518

SCHEMBL2298518

COC(=O)C(CC(C)C)NC(=O)c1cc(-c2ccc(NC(=O)NC3CCCCC3)cc2)no1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSGALNACT1 Q8TDX6 13/20 0.49
NPC1 O15118 3/20 0.45
EPHX2 P34913 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
EPHX1 P07099 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL2298516 1.00 CSGALNACT1 (0.49) CSGALNACT1NPC1EPHX2SMN1; SMN2ALDH1A1
SCHEMBL2294419 0.91 CSGALNACT1 (0.53) CSGALNACT1
SCHEMBL2294429 0.91 CSGALNACT1 (0.53) CSGALNACT1
SCHEMBL2294441 0.87 CSGALNACT1 (0.61) CSGALNACT1
SCHEMBL2294446 0.87 CSGALNACT1 (0.61) CSGALNACT1
SCHEMBL2294568 0.84 CSGALNACT1 (0.66) CSGALNACT1ALDH1A1
SCHEMBL2294563 0.84 CSGALNACT1 (0.66) CSGALNACT1ALDH1A1
SCHEMBL2296693 0.81 CSGALNACT1 (0.71) CSGALNACT1
SCHEMBL2296698 0.81 CSGALNACT1 (0.71) CSGALNACT1
SCHEMBL2298936 0.81 CSGALNACT1 (0.53) CSGALNACT1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835428-B2 Diacylglycerol acyltransferase inhibitors Piramal Enterprises Limited (IN) 2014-09-16 US claimed
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 CSGALNACT1 455/4885NPC1 436/4885EPHX2 984/4885

“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.