SCHEMBL8304219

SCHEMBL8304219

CC(C)(C)OC(=O)N1CC(Oc2nccc3ccc(F)cc23)C[C@H]1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.38
UCHL1 P09936 1/20 0.38
CCNT1 O60563 2/20 0.37
CDK9 P50750 2/20 0.37
PIK3CD O00329 1/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
CYP3A4 P08684 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRA6 Q16445 1/20 0.34
GPR119 Q8TDV5 4/20 0.34
CCKBR P32239 1/20 0.34

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
SCHEMBL12843503 1.00 IDO1 (0.38) IDO1UCHL1CCNT1CDK9PIK3CD
SCHEMBL1536437 1.00 IDO1 (0.38) IDO1UCHL1CCNT1CDK9PIK3CD
SCHEMBL1536426 0.90 CYP3A4 (0.41) UCHL1PIK3CDHCRTR1HCRTR2CYP3A4
SCHEMBL8176333 0.90 CYP3A4 (0.41) UCHL1PIK3CDHCRTR1HCRTR2CYP3A4
SCHEMBL14617907 0.90 CYP3A4 (0.41) UCHL1PIK3CDHCRTR1HCRTR2CYP3A4
SCHEMBL1536598 0.89 P2RX3 (0.39) UCHL1PIK3CDHCRTR1HCRTR2CYP3A4
SCHEMBL13433609 0.89 MCL1 (0.38) UCHL1PIK3CDHCRTR1HCRTR2CYP3A4
SCHEMBL8305805 0.89 P2RX3 (0.39) UCHL1PIK3CDHCRTR1HCRTR2CYP3A4
SCHEMBL14038635 0.89 P2RX3 (0.39) UCHL1PIK3CDHCRTR1HCRTR2CYP3A4
SCHEMBL8195379 0.88 CYP3A4 (0.42) UCHL1PIK3CDHCRTR1HCRTR2CYP3A4

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 22 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-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
EP-1629000-B1 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2009-02-18 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
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
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 (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 IDO1 1960/4885UCHL1 588/4885CCNT1 1379/4885
US-20160067302-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 IDO1 1834/4885UCHL1 1551/4885CCNT1 668/4885
US-20090274656-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, CTRB1 IDO1 1834/4885UCHL1 1551/4885CCNT1 668/4885
US-20150005342-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 IDO1 1834/4885UCHL1 1551/4885CCNT1 668/4885
US-20130267713-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 IDO1 1834/4885UCHL1 1551/4885CCNT1 668/4885
US-20110311482-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 IDO1 1834/4885UCHL1 1551/4885CCNT1 668/4885
US-20140163231-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 IDO1 1834/4885UCHL1 1551/4885CCNT1 668/4885

“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.