SCHEMBL1019752

SCHEMBL1019752

C=CCCC1CCCC1OC(=O)N[C@H](C(=O)O)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.32
CASP1 P29466 1/20 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
SCHEMBL21508857 1.00 CNR2 (0.32) CNR2CASP1
SCHEMBL14979993 1.00 CNR2 (0.32) CNR2CASP1
SCHEMBL8209861 0.93 CNR2 (0.31) CNR2CASP1
SCHEMBL21486274 0.93 CNR2 (0.31) CNR2CASP1
SCHEMBL3306435 0.93 CNR2 (0.31) CNR2CASP1
SCHEMBL731017 0.88 CNR2 (0.31) CNR2
SCHEMBL20477494 0.88 CNR2 (0.31) CNR2
SCHEMBL731018 0.88 CNR2 (0.31) CNR2
SCHEMBL15424652 0.88 CNR2 (0.32) CNR2
SCHEMBL19174544 0.88 CNR2 (0.32) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461107-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-06-11 US disclosed
US-8461107-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-06-11 US disclosed
US-20110046161-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2011-02-24 US disclosed
US-20110046161-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2011-02-24 US disclosed
EP-2271345-A1 HCV NS3 PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2011-01-12 EP disclosed
WO-2009134624-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2009-11-05 WO disclosed
WO-2009134624-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2009-11-05 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-20110046161-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, CTSC CNR2 4458/4885CASP1 179/4885

“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.