SCHEMBL2297977

SCHEMBL2297977

COC(=O)[C@@H](NC(=O)c1nc(-c2ccc(NC(=S)Nc3ccc(F)cc3)cc2)no1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSGALNACT1 Q8TDX6 3/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 2/20 0.43
DGAT1 O75907 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.41
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HAVCR2 Q8TDQ0 1/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 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
SCHEMBL2297973 1.00 CSGALNACT1 (0.46) CSGALNACT1ALDH1A1LMNAKMT2AMEN1
SCHEMBL2298791 0.92 CSGALNACT1 (0.54) CSGALNACT1ALDH1A1LMNAKMT2AMEN1
SCHEMBL2298788 0.92 CSGALNACT1 (0.54) CSGALNACT1ALDH1A1LMNAKMT2AMEN1
SCHEMBL2296557 0.91 CSGALNACT1 (0.56) CSGALNACT1ALDH1A1LMNADGAT1GAA
SCHEMBL2301343 0.91 SMN1; SMN2 (0.46) CSGALNACT1ALDH1A1LMNAKMT2AMEN1
SCHEMBL2301331 0.91 SMN1; SMN2 (0.46) CSGALNACT1ALDH1A1LMNAKMT2AMEN1
SCHEMBL2296119 0.89 DGAT1 (0.43) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL2296122 0.89 DGAT1 (0.43) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL2295508 0.83 KMT2A (0.48) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL2295511 0.83 KMT2A (0.48) ALDH1A1LMNAKMT2AMEN1MAPT

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 CSGALNACT1 455/4885ALDH1A1 425/4885LMNA 3819/4885

“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.