SCHEMBL635158

SCHEMBL635158

CC(C)(C)NC(=O)O.NS(=O)(=O)C1(CC2CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HSD11B1 P28845 1/20 0.32
RECQL P46063 1/20 0.32
CNR2 P34972 2/20 0.31
CPB2 Q96IY4 1/20 0.31
SLC6A9 P48067 1/20 0.30

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
SCHEMBL4977041 0.94 CPB2 (0.34) ALDH1A1CPB2
SCHEMBL51002 0.79 CA1 (0.32)
SCHEMBL4977370 0.78 POLB (0.32)
SCHEMBL634890 0.78
SCHEMBL4978619 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4977309 0.77
SCHEMBL4983542 0.75
SCHEMBL4979147 0.74
SCHEMBL4977331 0.74
SCHEMBL4978711 0.73 RAB9A (0.43) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089385-B1 INHIBITORS OF HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2016-01-06 EP disclosed
EP-2049474-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-11-04 EP disclosed
EP-2086963-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP disclosed
EP-2300490-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-03-04 EP disclosed
EP-2086994-B1 INHIBITORS OF HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2014-11-26 EP disclosed
EP-1951743-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-03-19 EP disclosed
EP-1945641-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-03-19 EP disclosed
US-8343477-B2 Viricides; serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
EP-1863793-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-07-04 EP disclosed
EP-2086995-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-22 EP disclosed
US-20070093414-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
WO-2007044933-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-19 WO disclosed
US-20070010455-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-11 US disclosed
EP-1505945-A4 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-11-22 EP disclosed
WO-2006086381-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-17 WO disclosed
US-20060183694-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-08-17 US disclosed
US-6878722-B2 Substituted cycloalkyl P1′ hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-12 US disclosed
EP-1505945-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2005-02-16 EP disclosed
WO-2004043339-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 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 (4 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-20060183694-A1 Hepatitis C virus inhibitors HAVCR2, HPN, CTSC ALDH1A1 2758/4885HSD11B1 2487/4885RECQL 1551/4885
US-20070010455-A1 Hepatitis C virus inhibitors HAVCR2, VIP, ENPEP ALDH1A1 3360/4885HSD11B1 3801/4885RECQL 1689/4885
US-20070093414-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, PYGL ALDH1A1 623/4885HSD11B1 1640/4885RECQL 1628/4885
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors HAVCR2, ANPEP, ENPEP ALDH1A1 2672/4885HSD11B1 2432/4885RECQL 3721/4885

“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.