SCHEMBL3360649

SCHEMBL3360649

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(OC)ccc23)CN1)C(=O)NS(=O)(=O)C1CC1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.65
CFD P00746 1/20 0.39

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
SCHEMBL12464414 1.00 CYP3A4 (0.65) CYP3A4CFD
SCHEMBL12773145 1.00 CYP3A4 (0.65) CYP3A4CFD
SCHEMBL6913445 1.00 CYP3A4 (0.65) CYP3A4CFD
SCHEMBL12108567 1.00 CYP3A4 (0.65) CYP3A4CFD
SCHEMBL13223877 1.00 CYP3A4 (0.65) CYP3A4CFD
SCHEMBL12773189 0.92 CYP3A4 (0.55) CYP3A4CFD
SCHEMBL13224288 0.91 CYP3A4 (0.53) CYP3A4
SCHEMBL8260772 0.90 CYP3A4 (0.54) CYP3A4CFD
SCHEMBL13224043 0.90 CYP3A4 (0.54) CYP3A4CFD
SCHEMBL13247284 0.90 CYP3A4 (0.53) CYP3A4

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9694086-B2 HCV protease inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-07-04 US disclosed
US-9694086-B2 HCV protease inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-07-04 US disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-20160243249-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2016-08-25 US disclosed
US-20160243249-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2016-08-25 US disclosed
US-20160067302-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-9227940-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 US disclosed
EP-2086963-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP disclosed
US-20150005342-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-01-01 US disclosed
US-8889871-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-11-18 US disclosed
US-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-03-18 US disclosed
US-20090274656-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 US disclosed
US-20090274656-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 US disclosed
US-7449479-B2 Serine protease inhibition via 1-{[1-(2-Methoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-11 US disclosed
US-7449479-B2 Serine protease inhibition via 1-{[1-(2-Methoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-11 US disclosed
WO-2008060927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-22 WO disclosed
US-20080119461-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
US-20080119461-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
US-7323447-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-29 US disclosed
US-7323447-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-29 US 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 (6 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-20080119461-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL CYP3A4 379/4885CFD 2603/4885
US-20160067302-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 CYP3A4 205/4885CFD 1816/4885
US-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CYP3A4 275/4885CFD 829/4885
US-20090274656-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, CTRB1 CYP3A4 205/4885CFD 1816/4885
US-20150005342-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 CYP3A4 205/4885CFD 1816/4885
US-20160243249-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CYP3A4 275/4885CFD 829/4885

“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.