SCHEMBL2301345

SCHEMBL2301345

COC(=O)[C@@H](NC(=O)c1csc(-c2ccc(NC(=O)Nc3ccc(F)c(F)c3)cc2)n1)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSGALNACT1 Q8TDX6 6/20 0.52
MAPT P10636 6/20 0.45
TDP1 Q9NUW8 3/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 3/20 0.43
ATM Q13315 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
BLM P54132 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL2301342 1.00 CSGALNACT1 (0.52) CSGALNACT1MAPTTDP1ALDH1A1POLB
SCHEMBL2296574 0.91 CSGALNACT1 (0.64) CSGALNACT1MAPTTDP1ATMNPSR1
SCHEMBL2296570 0.91 CSGALNACT1 (0.64) CSGALNACT1MAPTTDP1ATMNPSR1
SCHEMBL2301344 0.88 DGAT1 (0.52) CSGALNACT1MAPTTDP1POLBLMNA
SCHEMBL2301334 0.88 DGAT1 (0.52) CSGALNACT1MAPTTDP1POLBLMNA
SCHEMBL2294244 0.88 CSGALNACT1 (0.55) CSGALNACT1MAPTLMNASMN1; SMN2MEN1
SCHEMBL2294239 0.88 CSGALNACT1 (0.55) CSGALNACT1MAPTLMNASMN1; SMN2MEN1
SCHEMBL2293740 0.85 MAPK1 (0.58) CSGALNACT1MAPTALDH1A1POLBLMNA
SCHEMBL2293738 0.85 MAPK1 (0.58) CSGALNACT1MAPTALDH1A1POLBLMNA
SCHEMBL2300968 0.85 NPC1 (0.47) TDP1POLBSMN1; SMN2MEN1KMT2A

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 455/4885MAPT 1278/4885TDP1 2645/4885

“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.