SCHEMBL16113162

SCHEMBL16113162

CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(OCC(F)(F)F)c(-c3ccc(OC)c(C(=O)OC)c3)cc12

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.39
CYP2C8 P10632 4/20 0.39
KCNH2 Q12809 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NR1I2 O75469 1/20 0.38
ANO1 Q5XXA6 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
SCHEMBL16112789 0.93 ANO1 (0.42) CYP3A4CYP2C8KCNH2ALDH1A1NR1I2
SCHEMBL19806163 0.91 CYP3A4 (0.41) CYP3A4CYP2C8KCNH2NR1I2ANO1
SCHEMBL19262355 0.90 ALDH1A1 (0.38) CYP3A4CYP2C8KCNH2ALDH1A1NR1I2
SCHEMBL18038576 0.89 CYP3A4 (0.40) CYP3A4CYP2C8KCNH2NR1I2ANO1
SCHEMBL18809302 0.89 ALDH1A1 (0.38) CYP3A4CYP2C8KCNH2ALDH1A1NR1I2
SCHEMBL18038569 0.89 CYP3A4 (0.39) CYP3A4
SCHEMBL18038581 0.89 CYP3A4 (0.39) CYP3A4CYP2C8KCNH2NR1I2ANO1
SCHEMBL18809303 0.87 CYP3A4 (0.37) CYP3A4CYP2C8KCNH2ALDH1A1
SCHEMBL17453385 0.87 CYP3A4 (0.40) CYP3A4CYP2C8KCNH2NR1I2
SCHEMBL18038584 0.87 CYP3A4 (0.41) CYP3A4CYP2C8KCNH2ANO1

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 15 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
EP-3262038-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2018-01-03 EP 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
WO-2016137832-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-01 WO disclosed
WO-2016137832-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-01 WO 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 299/4885CYP2C8 85/4885KCNH2 3814/4885
US-20160024103-A1 FUSED FURANS FOR THE TREATMENT OF HEPATITIS C HAVCR2, HCCS, GOT1 CYP3A4 152/4885CYP2C8 48/4885KCNH2 3442/4885
US-20180022723-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF HEPATITIS C HAVCR2, HCCS, SLC10A1 CYP3A4 640/4885CYP2C8 244/4885KCNH2 3950/4885

“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.