SCHEMBL8290309

SCHEMBL8290309

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)O

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.82
CTSB P07858 2/20 0.51
PPP3CB P16298 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
SCHEMBL14376840 0.93 CYP3A4 (0.71) CYP3A4CTSBPPP3CB
SCHEMBL8284751 0.93 CYP3A4 (0.71) CYP3A4CTSBPPP3CB
SCHEMBL12055094 0.92 CYP3A4 (0.78) CYP3A4CTSBPPP3CB
SCHEMBL13757652 0.92 CYP3A4 (0.72) CYP3A4CTSBPPP3CB
SCHEMBL3407956 0.92 CYP3A4 (0.72) CYP3A4CTSBPPP3CB
SCHEMBL14350367 0.90 CYP3A4 (0.84) CYP3A4
SCHEMBL23633748 0.90 CYP3A4 (1.00) CYP3A4
SCHEMBL12772968 0.90 CYP3A4 (1.00) CYP3A4
SCHEMBL14350383 0.90 CYP3A4 (0.86) CYP3A4
SCHEMBL12054434 0.90 CYP3A4 (1.00) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20150005342-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-01-01 US disclosed
EP-1684745-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-12-17 EP disclosed
US-8889871-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-11-18 US disclosed
EP-1684787-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-16 EP disclosed
US-20130267713-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-10-10 US disclosed
US-8507722-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-13 US disclosed
US-8299094-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-30 US disclosed
US-20110311482-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-22 US disclosed
US-7915291-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 US disclosed
US-7915291-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 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-7309708-B2 Hepatitis C virus inhibitors BIRSTOL-MYERS SQUIBB COMPANY (US) 2007-12-18 US disclosed
US-7309708-B2 Hepatitis C virus inhibitors BIRSTOL-MYERS SQUIBB COMPANY (US) 2007-12-18 US disclosed
WO-2005051410-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-09 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 (5 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 205/4885CTSB 124/4885PPP3CB 21/4885
US-20090274656-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, CTRB1 CYP3A4 205/4885CTSB 124/4885PPP3CB 21/4885
US-20150005342-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 CYP3A4 205/4885CTSB 124/4885PPP3CB 21/4885
US-20130267713-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 CYP3A4 205/4885CTSB 124/4885PPP3CB 21/4885
US-20110311482-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 CYP3A4 205/4885CTSB 124/4885PPP3CB 21/4885

“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.