SCHEMBL2298245

SCHEMBL2298245

COC(=O)[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.58
GAA P10253 2/20 0.58
LMNA P02545 1/20 0.45
HPGDS O60760 1/20 0.44
NPC1 O15118 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 4/20 0.43
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC3 O15379 2/20 0.42
HPGD P15428 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
TLR7 Q9NYK1 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
GFER P55789 1/20 0.41
AMY1A P0DUB6 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40

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
SCHEMBL2298250 1.00 RAB9A (0.58) RAB9AGAALMNAHPGDSNPC1
SCHEMBL2294525 0.84 HPGDS (0.47) RAB9AGAAHPGDSNPC1POLB
SCHEMBL2294519 0.84 HPGDS (0.47) RAB9AGAAHPGDSNPC1POLB
SCHEMBL1756255 0.81 LMNA (0.55) RAB9AGAALMNANPC1POLB
SCHEMBL14482063 0.79 RAB9A (0.75) RAB9AGAALMNANPC1POLB
SCHEMBL1761789 0.78 TAS1R3 (0.54) RAB9AGAALMNANPC1POLB
SCHEMBL2301334 0.76 DGAT1 (0.52) RAB9ALMNANPC1POLBMAPT
SCHEMBL2301344 0.76 DGAT1 (0.52) RAB9ALMNANPC1POLBMAPT
SCHEMBL1756253 0.76 DGAT1 (0.47) GAALMNAMAPTMMP1MMP2
SCHEMBL2301345 0.75 CSGALNACT1 (0.52) GAALMNAPOLBMAPTHPGD

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 3 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 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 RAB9A 3753/4885GAA 317/4885LMNA 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.