SCHEMBL10096281

SCHEMBL10096281

CCCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2cc(OC)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 2/20 0.44
GRIK1 P39086 1/20 0.44
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
PGR P06401 6/20 0.40
NR3C1 P04150 4/20 0.40
NR3C2 P08235 4/20 0.40
AR P10275 4/20 0.40
NPC1 O15118 3/20 0.39
AS3MT Q9HBK9 2/20 0.38
PFKFB2 O60825 1/20 0.38
NSD2 O96028 1/20 0.38
PFKFB1 P16118 1/20 0.38
PFKFB3 Q16875 1/20 0.38
DOT1L Q8TEK3 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL10096285 0.92 GRIK2 (0.44) GRIK2GRIK1PGRNPC1AS3MT
SCHEMBL10095530 0.92 PGR (0.42) GRIK2GRIK1HSP90AA1HSP90AB1PGR
SCHEMBL10095449 0.92 GRIK2 (0.54) GRIK2GRIK1HSP90AA1HSP90AB1PGR
SCHEMBL10096329 0.90 PGR (0.46) GRIK2GRIK1PGRNPC1AS3MT
SCHEMBL10096286 0.90 PGR (0.42) GRIK2GRIK1PGRNPC1AS3MT
SCHEMBL10096287 0.88 GRIK2 (0.41) GRIK2GRIK1NPC1AS3MTPFKFB2
SCHEMBL10095871 0.87 DYRK1A (0.42) HSP90AA1HSP90AB1PGRNR3C1NR3C2
SCHEMBL13151955 0.85 GRIK2 (0.44) GRIK2GRIK1NPC1LMNAGAA
SCHEMBL10095306 0.84 CYP11B2 (0.46) GRIK2GRIK1PGRLMNAMAPK1
SCHEMBL979541 0.84 GRIK2 (0.46) GRIK2GRIK1HSP90AA1HSP90AB1PGR

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 17 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 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
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS GRIK2 3701/4885GRIK1 3372/4885HSP90AA1 804/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS GRIK2 2948/4885GRIK1 2562/4885HSP90AA1 298/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS GRIK2 2948/4885GRIK1 2562/4885HSP90AA1 298/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP GRIK2 4491/4885GRIK1 4307/4885HSP90AA1 148/4885

“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.