Sugi Predict

Sugi Predict / Compounds / SCHEMBL8176333

SCHEMBL8176333

SCHEMBL8176333

Cc1ccc2ccnc(OC3C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ UCHL1 P09936 1/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ MCL1 Q07820 7/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ BCL2 P10415 1/20 0.35
▸ BCL2L1 Q07817 1/20 0.35
▸ GPR119 Q8TDV5 3/20 0.35

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
SCHEMBL14617907 1.00 CYP3A4 (0.41) CYP3A4CYP1A2POLBCYP2C19UCHL1
SCHEMBL1536426 1.00 CYP3A4 (0.41) CYP3A4CYP1A2POLBCYP2C19UCHL1
SCHEMBL1536437 0.90 IDO1 (0.38) CYP3A4UCHL1PIK3CDHCRTR1HCRTR2
SCHEMBL13433609 0.90 MCL1 (0.38) CYP3A4UCHL1PIK3CDMCL1HCRTR1
SCHEMBL8304219 0.90 IDO1 (0.38) CYP3A4UCHL1PIK3CDHCRTR1HCRTR2
SCHEMBL8305805 0.90 P2RX3 (0.39) CYP3A4UCHL1PIK3CDMCL1HCRTR1
SCHEMBL1536598 0.90 P2RX3 (0.39) CYP3A4UCHL1PIK3CDMCL1HCRTR1
SCHEMBL14038635 0.90 P2RX3 (0.39) CYP3A4UCHL1PIK3CDMCL1HCRTR1
SCHEMBL12843503 0.90 IDO1 (0.38) CYP3A4UCHL1PIK3CDHCRTR1HCRTR2
SCHEMBL8195379 0.89 CYP3A4 (0.42) CYP3A4UCHL1PIK3CDMCL1L3MBTL1

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 21 patents — showing the first 20. 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
US-8889871-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-11-18 — — US disclosed
US-20140163231-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-06-12 — — US 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-7772180-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 — — US disclosed
US-7772180-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 — — US disclosed
US-20090274656-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 — — US disclosed
EP-2033654-A1 Macrocyclic isoquinoline peptide inhibitors of hepatitis c virus Bristol-Myers Squibb Company (US) 2009-03-11 — — EP 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-7173004-B2 Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US disclosed
WO-2004094452-A2 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 — — 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 (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-20080119461-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL CYP3A4 379/4885CYP1A2 436/4885POLB 1458/4885
US-20160067302-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 CYP3A4 205/4885CYP1A2 161/4885POLB 414/4885
US-20090274656-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, CTRB1 CYP3A4 205/4885CYP1A2 161/4885POLB 414/4885
US-20150005342-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 CYP3A4 205/4885CYP1A2 161/4885POLB 414/4885
US-20130267713-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 CYP3A4 205/4885CYP1A2 161/4885POLB 414/4885
US-20110311482-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 CYP3A4 205/4885CYP1A2 161/4885POLB 414/4885
US-20140163231-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 CYP3A4 205/4885CYP1A2 161/4885POLB 414/4885

“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.