SCHEMBL16112952

SCHEMBL16112952

CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(COS(C)(=O)=O)c(OC(C)C)cc12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 2/20 0.43
KCNH2 Q12809 3/20 0.42
CYP2C8 P10632 1/20 0.39
CACNA1C Q13936 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
SCHEMBL16113347 0.90 CYP2C9 (0.43) CYP2C9CYP3A4CYP2C19KCNH2CACNA1C
SCHEMBL16133722 0.89 CYP3A4 (0.41) CYP2C9CYP3A4CYP2C19KCNH2CYP2C8
SCHEMBL2841670 0.88 CYP2C9 (0.42) CYP2C9CYP3A4CYP2C19KCNH2CACNA1C
SCHEMBL2839016 0.88 CYP3A4 (0.41) CYP2C9CYP3A4CYP2C19KCNH2CYP2C8
SCHEMBL17464357 0.87 CYP3A4 (0.39) CYP2C9CYP3A4CYP2C19KCNH2CYP2C8
SCHEMBL2843686 0.87 CYP2C9 (0.42) CYP2C9CYP3A4CYP2C19KCNH2CACNA1C
SCHEMBL2843683 0.87 CYP3A4 (0.47) CYP2C9CYP3A4CYP2C19KCNH2CACNA1C
SCHEMBL2835738 0.86 CYP3A4 (0.40) CYP2C9CYP3A4CYP2C19KCNH2CYP2C8
SCHEMBL2840278 0.86 CYP3A4 (0.40) CYP2C9CYP3A4CYP2C19KCNH2CYP2C8
SCHEMBL16112805 0.86 CYP3A4 (0.40) CYP2C9CYP3A4CYP2C19KCNH2CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738653-B2 Fused furans for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
EP-2970174-B1 FUSED FURANS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-05-03 EP disclosed
US-20160024103-A1 FUSED FURANS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2016-01-28 US disclosed
EP-2970174-A1 FUSED FURANS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2016-01-20 EP disclosed
WO-2014159559-A1 FUSED FURANS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-10-02 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-20160024103-A1 FUSED FURANS FOR THE TREATMENT OF HEPATITIS C HAVCR2, HCCS, GOT1 CYP2C9 253/4885CYP3A4 152/4885CYP2C19 380/4885

“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.