SCHEMBL2298475

SCHEMBL2298475

CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(Cc3ccc(B(O)O)c(Cl)c3)S(C)(=O)=O)c(C3CC3)cc12

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.86
CYP3A4 P08684 4/20 0.86
CYP2C19 P33261 4/20 0.86
KCNH2 Q12809 2/20 0.76

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
SCHEMBL12423707 0.93 CYP2C9 (0.75) CYP2C9CYP3A4CYP2C19KCNH2
SCHEMBL29461451 0.93 CYP2C9 (1.00) CYP2C9CYP3A4CYP2C19KCNH2
SCHEMBL2294370 0.93 CYP2C9 (1.00) CYP2C9CYP3A4CYP2C19KCNH2
SCHEMBL12422593 0.92 CYP2C9 (0.88) CYP2C9CYP3A4CYP2C19KCNH2
SCHEMBL2299712 0.92 CYP2C9 (0.84) CYP2C9CYP3A4CYP2C19KCNH2
SCHEMBL12422527 0.91 CYP2C9 (0.86) CYP2C9CYP3A4CYP2C19KCNH2
SCHEMBL2295518 0.91 CYP2C9 (0.89) CYP2C9CYP3A4CYP2C19KCNH2
SCHEMBL12422993 0.91 CYP2C9 (0.85) CYP2C9CYP3A4CYP2C19KCNH2
SCHEMBL2295949 0.91 CYP2C9 (0.85) CYP2C9CYP3A4CYP2C19KCNH2
SCHEMBL2300294 0.91 CYP2C9 (0.76) CYP2C9CYP3A4CYP2C19KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011103063-A1 THERAPEUTIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-08-25 WO claimed
EP-3199531-A1 BENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS Glaxo Group Limited (GB) 2017-08-02 EP disclosed
US-9682999-B2 Benzofuran compounds for the treatment of hepatitis C virus infections GLAXO GROUP LIMITED (GB) 2017-06-20 US disclosed
US-9682999-B2 Benzofuran compounds for the treatment of hepatitis C virus infections GLAXO GROUP LIMITED (GB) 2017-06-20 US disclosed
US-20150080343-A1 Benzofuran Compounds For The Treatment Of Hepatitis C Virus Infections GLAXO GROUP LIMITED (GB) 2015-03-19 US disclosed
US-20150080343-A1 Benzofuran Compounds For The Treatment Of Hepatitis C Virus Infections GLAXO GROUP LIMITED (GB) 2015-03-19 US disclosed
US-8927593-B2 Benzofuran compounds for the treatment of hepatitis C virus infections GLAXO GROUP LIMITED (GB) 2015-01-06 US disclosed
US-8927593-B2 Benzofuran compounds for the treatment of hepatitis C virus infections GLAXO GROUP LIMITED (GB) 2015-01-06 US disclosed
US-20130237501-A1 Benzofuran Compounds For The Treatment Of Hepatitis C Virus Infections GLAXO GROUP LIMITED (GB) 2013-09-12 US disclosed
US-20130237501-A1 Benzofuran Compounds For The Treatment Of Hepatitis C Virus Infections GLAXO GROUP LIMITED (GB) 2013-09-12 US disclosed
WO-2013028371-A1 BENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS GLAXO GROUP LIMITED (GB) 2013-02-28 WO disclosed
WO-2011103063-A1 THERAPEUTIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-08-25 WO disclosed
WO-2011103063-A1 THERAPEUTIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-08-25 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 (2 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-20130237501-A1 Benzofuran Compounds For The Treatment Of Hepatitis C Virus Infections UGT1A1, CYP3A43, ZC3HAV1 CYP2C9 43/4885CYP3A4 25/4885CYP2C19 34/4885
US-20150080343-A1 Benzofuran Compounds For The Treatment Of Hepatitis C Virus Infections UGT1A1, CYP3A43, ZC3HAV1 CYP2C9 43/4885CYP3A4 25/4885CYP2C19 34/4885

“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.