SCHEMBL8200320

SCHEMBL8200320

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.63

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
SCHEMBL8256041 1.00 CYP3A4 (0.63) CYP3A4
SCHEMBL15308343 1.00 CYP3A4 (0.63) CYP3A4
SCHEMBL12034360 1.00 CYP3A4 (0.63) CYP3A4
SCHEMBL1536504 1.00 CYP3A4 (0.63) CYP3A4
SCHEMBL8349515 1.00 CYP3A4 (0.63) CYP3A4
SCHEMBL1536446 0.94
SCHEMBL16380541 0.94
SCHEMBL12053856 0.94
SCHEMBL14013039 0.93 CYP3A4 (0.62) CYP3A4
SCHEMBL3872790 0.93 CYP3A4 (0.62) 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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2740734-B1 HCV PROTEASE INHIBITORS SHANGHAI TANGRUN PHARMACEUTICALS CO LTD (CN) 2017-09-06 EP disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 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
US-8969373-B2 HCV protease inhibitors Shanghai Tangrun Pharmaceuticals Co., Ltd. (CN) 2015-03-03 US 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-20140163219-A1 HCV Protease Inhibitors SHANGHAI TANGRUN PHARMACEUTICALS, CO., LTD. (CN) 2014-06-12 US disclosed
EP-2740734-A1 HCV PROTEASE INHIBITORS Shanghai Tangrun Pharmaceuticals, Co. Ltd (CN) 2014-06-11 EP disclosed
US-20130267713-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-10-10 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
US-20080152619-A1 N-(4,6-dimethyl-2-pyridinyl)-L-valyl-(4R) N-((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)oxy)-L-prolinamide; viricide; synergistic with other active ingredients BRISTOL-MYERS SQUIBB COMPANY 2008-06-26 US disclosed
US-20080152619-A1 N-(4,6-dimethyl-2-pyridinyl)-L-valyl-(4R) N-((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)oxy)-L-prolinamide; viricide; synergistic with other active ingredients BRISTOL-MYERS SQUIBB COMPANY 2008-06-26 US disclosed
WO-2008064066-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-29 WO disclosed
WO-2008008776-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-17 WO disclosed
US-20080014173-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-01-17 US disclosed
US-20080014173-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-01-17 US disclosed
WO-2006122188-A2 TRIPEPTIDES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-16 WO disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 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 (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-20160067302-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 CYP3A4 205/4885
US-20140163219-A1 HCV Protease Inhibitors CPN1, CTRL, CTSZ CYP3A4 725/4885
US-20080014173-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL CYP3A4 379/4885
US-20150005342-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 CYP3A4 205/4885
US-20130267713-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 CYP3A4 205/4885
US-20080152619-A1 N-(4,6-dimethyl-2-pyridinyl)-L-valyl-(4R) N-((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)oxy)-L-prolinamide; viricide; synergistic with other active ingredients PREP, PPIL4, PPID CYP3A4 142/4885

“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.