SCHEMBL18028993

SCHEMBL18028993

CCN(c1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1cccc(C(=O)O)c1)S(C)(=O)=O

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL19821780 0.93
SCHEMBL18028958 0.93
SCHEMBL18028988 0.93
SCHEMBL1919014 0.92 CYP3A4 (0.50) CYP3A4CYP2C9CYP2C19
SCHEMBL12318703 0.92 CYP3A4 (0.53) CYP3A4CYP2C9CYP2C19
SCHEMBL19833518 0.91
SCHEMBL17274526 0.91
SCHEMBL19821786 0.91
SCHEMBL19833543 0.90
SCHEMBL19821778 0.90 CYP3A4 (0.53) CYP3A4CYP2C9CYP2C19

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-11161837-B2 Benzofuran derivatives for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-02 US disclosed
US-20200291002-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2020-09-17 US disclosed
US-10570108-B2 Substituted benzofuran compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2020-02-25 US disclosed
US-20180099953-A1 BENZOFURANS SUBSTITUTED WITH SECONDARY BENZAMIDE AS HCV INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-12 US disclosed
US-20180030019-A1 SUBSTITUTED BENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2018-02-01 US disclosed
US-20180030017-A1 BENZOFURANS SUBSTITUTED WITH PRIMARY BENZAMIDE AS HCV INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-01 US disclosed
US-20180030056-A1 BENZOFURANS SUBSTITUTED WITH BICYCLIC SECONDARY BENZAMIDE AS HCV INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-01 US disclosed
WO-2017165233-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-28 WO disclosed
WO-2016133970-A1 BENZOFURANS SUBSTITUTED WITH PRIMARY BENZAMIDE AS HCV INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-25 WO disclosed
WO-2016133972-A1 SUBSTITUTED BENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-25 WO disclosed
WO-2016133963-A1 BENZOFURANS SUBSTITUTED WITH SECONDARY BENZAMIDE AS HCV INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-25 WO disclosed
WO-2016133961-A1 BENZOFURANS SUBSTITUTED WITH BICYCLIC SECONDARY BENZAMIDE AS HCV INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-25 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 (7 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-20180099953-A1 BENZOFURANS SUBSTITUTED WITH SECONDARY BENZAMIDE AS HCV INHIBITORS EIF2AK2, UGT2B7, TMBIM6 CYP3A4 107/4885CYP2C9 94/4885CYP2C19 86/4885
US-20200291002-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C HAVCR2, UGT2B7, GOT1 CYP3A4 94/4885CYP2C9 175/4885CYP2C19 140/4885
US-10570108-B2 Substituted benzofuran compounds for the treatment of hepatitis C GOT1, GOT2, HAVCR2 CYP3A4 49/4885CYP2C9 120/4885CYP2C19 94/4885
US-20180030019-A1 SUBSTITUTED BENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C GOT1, GOT2, HAVCR2 CYP3A4 49/4885CYP2C9 120/4885CYP2C19 94/4885
US-20180030056-A1 BENZOFURANS SUBSTITUTED WITH BICYCLIC SECONDARY BENZAMIDE AS HCV INHIBITORS ZC3HAV1, TMBIM6, UGT2B7 CYP3A4 206/4885CYP2C9 204/4885CYP2C19 241/4885
US-20180030017-A1 BENZOFURANS SUBSTITUTED WITH PRIMARY BENZAMIDE AS HCV INHIBITORS ZC3HAV1, TMBIM6, EIF2AK2 CYP3A4 159/4885CYP2C9 172/4885CYP2C19 126/4885
US-11161837-B2 Benzofuran derivatives for the treatment of hepatitis C HAVCR2, UGT2B7, GOT1 CYP3A4 94/4885CYP2C9 175/4885CYP2C19 140/4885

“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.