SCHEMBL10095751

SCHEMBL10095751

CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3cc(OC)ccc3n2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.55
PGR P06401 6/20 0.47
GRIK2 Q13002 2/20 0.41
GRIK1 P39086 1/20 0.41
PFKFB2 O60825 1/20 0.41
NSD2 O96028 1/20 0.41
PFKFB1 P16118 1/20 0.41
PFKFB3 Q16875 1/20 0.41
AS3MT Q9HBK9 1/20 0.41
MAOA P21397 1/20 0.41
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
MAPT P10636 2/20 0.39
BRPF1 P55201 1/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
AR P10275 1/20 0.38

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
SCHEMBL10095525 0.92 CYP11B2 (0.57) CYP11B2PGRMAOACYP19A1CYP11B1
SCHEMBL10096285 0.89 GRIK2 (0.44) CYP11B2PGRGRIK2GRIK1PFKFB2
SCHEMBL10097269 0.89 CYP11B2 (0.57) CYP11B2PGRGRIK2AS3MTCYP19A1
SCHEMBL10096444 0.84 CYP11B2 (0.40) CYP11B2PGRGRIK2GRIK1PFKFB2
SCHEMBL13152589 0.84 GRIK2 (0.41) CYP11B2PGRGRIK2GRIK1MAPT
SCHEMBL10096329 0.83 PGR (0.46) CYP11B2PGRGRIK2GRIK1PFKFB2
SCHEMBL10095306 0.83 CYP11B2 (0.46) CYP11B2PGRGRIK2GRIK1MAOA
SCHEMBL10095597 0.82 CYP11B2 (0.56) CYP11B2PGRMAOACYP19A1CYP11B1
SCHEMBL10095333 0.82 GRIK2 (0.46) CYP11B2PGRGRIK2GRIK1PFKFB2
SCHEMBL10095937 0.82 GRIK2 (0.51) CYP11B2PGRGRIK2GRIK1PFKFB2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 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 (3 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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 CYP11B2 1649/4885PGR 4483/4885GRIK2 4509/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS CYP11B2 1209/4885PGR 3811/4885GRIK2 4399/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP CYP11B2 3187/4885PGR 3813/4885GRIK2 4491/4885

“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.