SCHEMBL1756285

SCHEMBL1756285

COC(=O)C(C(C)C)N(C)C(=O)c1ncc(-c2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.42
MAPT P10636 4/20 0.41
CYP1A2 P05177 1/20 0.41
APP P05067 2/20 0.40
HSD17B1 P14061 2/20 0.39
HSD17B2 P37059 2/20 0.39
CSNK2A2 P19784 3/20 0.37
CSNK2B P67870 3/20 0.37
CSNK2A1 P68400 3/20 0.37
CYP2C19 P33261 2/20 0.36
LMNA P02545 2/20 0.36
RECQL P46063 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35

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
SCHEMBL1756304 0.84 HSD17B1 (0.41) MAPTAPPHSD17B1HSD17B2CSNK2A2
SCHEMBL1761338 0.81 POLB (0.43) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL29789503 0.79 CYP2C19 (0.45) MAPTCYP1A2CYP2C19LMNAKDM4E
SCHEMBL23298172 0.79 CYP2C19 (0.45) MAPTCYP1A2CYP2C19LMNAKDM4E
SCHEMBL23298173 0.79 CYP2C19 (0.45) MAPTCYP1A2CYP2C19LMNAKDM4E
SCHEMBL1756253 0.78 DGAT1 (0.47) XDHMAPTAPPLMNAKDM4E
SCHEMBL1756323 0.76 DGAT1 (0.50) CSNK2A2CSNK2A1LMNAALDH1A1
SCHEMBL1756212 0.75 DGAT1 (0.61)
SCHEMBL2297535 0.75 CXCR1 (0.44) MAPTCYP1A2LMNAKDM4EGAA
SCHEMBL2297539 0.75 CXCR1 (0.44) MAPTCYP1A2LMNAKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722901-B2 Carboxy oxazole or thiazole compounds as DGAT-1 inhibitors useful for the treatment of obesity Piramal Enterprises Limited (IN) 2014-05-13 US disclosed
EP-2496564-A2 HETEROARYL COMPOUNDS AS DGAT-1 INHIBITORS Piramal Life Sciences Limited (IN) 2012-09-12 EP disclosed
US-20120214854-A1 CARBOXY OXAZOLE OR THIAZOLE COMPOUNDS AS DGAT- 1 INHIBITORS USEFUL FOR THE TREATMENT OF OBESITY Piramal Enterprises Limited (IN) 2012-08-23 US disclosed
WO-2011055289-A2 HETEROARYL COMPOUNDS AS DGAT-1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-05-12 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-20120214854-A1 CARBOXY OXAZOLE OR THIAZOLE COMPOUNDS AS DGAT- 1 INHIBITORS USEFUL FOR THE TREATMENT OF OBESITY DGAT1, DGAT2, DLAT XDH 1348/4885MAPT 2573/4885CYP1A2 1104/4885

“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.