SCHEMBL16112841

SCHEMBL16112841

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.39
CYP2C9 P11712 4/20 0.39
CYP2C19 P33261 4/20 0.39
CYP2C8 P10632 4/20 0.39
ANO1 Q5XXA6 2/20 0.38
KCNH2 Q12809 3/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
NR1I2 O75469 1/20 0.37

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
SCHEMBL16113764 0.91 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19CYP2C8ANO1
SCHEMBL16113788 0.91 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19CYP2C8ANO1
SCHEMBL16114270 0.91 CYP3A4 (0.39) CYP3A4CYP2C9CYP2C19CYP2C8ANO1
SCHEMBL16133722 0.90 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19CYP2C8ANO1
SCHEMBL2839016 0.89 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19CYP2C8ANO1
SCHEMBL2835738 0.88 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19CYP2C8ANO1
SCHEMBL16112805 0.88 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19CYP2C8ANO1
SCHEMBL2840278 0.88 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19CYP2C8ANO1
SCHEMBL2845114 0.87 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19CYP2C8KCNH2
SCHEMBL16112997 0.87 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19CYP2C8ANO1

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 9 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
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
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
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
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 CYP3A4 152/4885CYP2C9 253/4885CYP2C19 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.