SCHEMBL16112837

SCHEMBL16112837

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.40
CYP2C9 P11712 4/20 0.40
CYP2C19 P33261 4/20 0.40
KCNH2 Q12809 3/20 0.39
CYP2C8 P10632 3/20 0.39
ALDH1A1 P00352 1/20 0.39
CACNA1C Q13936 1/20 0.38
NR1I2 O75469 1/20 0.38

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
SCHEMBL17464363 0.90 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19KCNH2CYP2C8
SCHEMBL18038597 0.89 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19KCNH2CYP2C8
SCHEMBL18038647 0.88 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19KCNH2CYP2C8
SCHEMBL16114278 0.87 ALDH1A1 (0.42) CYP3A4CYP2C9CYP2C19KCNH2CYP2C8
SCHEMBL2838995 0.86 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19KCNH2CYP2C8
SCHEMBL2843414 0.85 ANO1 (0.47) CYP3A4CYP2C9CYP2C19KCNH2CYP2C8
SCHEMBL16113732 0.85 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19KCNH2CACNA1C
SCHEMBL18038577 0.85 ANO1 (0.47) CYP3A4CYP2C9CYP2C19KCNH2CYP2C8
SCHEMBL16133766 0.84 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19KCNH2CYP2C8
SCHEMBL19401360 0.84 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19KCNH2CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10150747-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2018-12-11 US disclosed
US-20180022723-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2018-01-25 US disclosed
US-20180022723-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2018-01-25 US disclosed
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 (3 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-10150747-B2 Compounds for the treatment of hepatitis C HAVCR2, HCCS, SLC10A1 CYP3A4 299/4885CYP2C9 383/4885CYP2C19 490/4885
US-20160024103-A1 FUSED FURANS FOR THE TREATMENT OF HEPATITIS C HAVCR2, HCCS, GOT1 CYP3A4 152/4885CYP2C9 253/4885CYP2C19 380/4885
US-20180022723-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF HEPATITIS C HAVCR2, HCCS, SLC10A1 CYP3A4 640/4885CYP2C9 1011/4885CYP2C19 1331/4885

“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.