SCHEMBL16787495

SCHEMBL16787495

COc1nc(C(C)(C)C)c(O)c(=O)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ERCC1 P07992 1/20 0.31
FEN1 P39748 1/20 0.31
ERCC4 Q92889 1/20 0.31
XDH P47989 2/20 0.31

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
SCHEMBL15427232 0.76 XDH (0.38) HCAR2ERCC1FEN1ERCC4XDH
SCHEMBL15470616 0.76 PARP1 (0.39)
SCHEMBL15621592 0.71 HCAR2 (0.43) HCAR2ERCC1FEN1ERCC4XDH
SCHEMBL4286325 0.68 PDE2A (0.39) HCAR2
SCHEMBL21324833 0.62 HPGD (0.32)
SCHEMBL24812797 0.59 MAPT (0.53) HCAR2XDH
SCHEMBL6008799 0.59 PTGS1 (0.39)
SCHEMBL3618030 0.58 PTGS1 (0.40) CA1CA2
SCHEMBL148952 0.57 TNKS2 (0.61)
SCHEMBL22907600 0.57 HPGD (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139578-B2 Amide or urea containing benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-22 US disclosed
US-20150158856-A1 AMIDE OR UREA CONTAINING BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2015-06-11 US 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-20150158856-A1 AMIDE OR UREA CONTAINING BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LIPE, CEL HCAR2 1836/4885CA1 4550/4885CA2 3603/4885

“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.