SCHEMBL1756253

SCHEMBL1756253

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 12/20 0.47
XDH P47989 1/20 0.44
APP P05067 2/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 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
SCHEMBL1756263 0.84 DGAT1 (0.50) DGAT1MMP2MMP9LMNAALDH1A1
SCHEMBL1756255 0.81 LMNA (0.55) LMNAALDH1A1GAAMAPT
SCHEMBL1761789 0.80 TAS1R3 (0.54) MMP1MMP2MMP3MMP7MMP9
SCHEMBL1756313 0.78 FAAH (0.45) MMP1MMP2MMP3MMP7MMP9
SCHEMBL1756285 0.78 XDH (0.42) XDHAPPMMP1MMP2MMP3
SCHEMBL1756236 0.78 DGAT1 (0.64) DGAT1
SCHEMBL1756233 0.78 DGAT1 (0.64) DGAT1
SCHEMBL1756218 0.77 DGAT1 (0.53) DGAT1ALDH1A1MAPT
SCHEMBL2298250 0.76 RAB9A (0.58) MMP1MMP2MMP3MMP7MMP9
SCHEMBL2298245 0.76 RAB9A (0.58) MMP1MMP2MMP3MMP7MMP9

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 DGAT1 1/4885XDH 1348/4885APP 4459/4885

“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.