SCHEMBL10095449

SCHEMBL10095449

CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2cc(OC)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 3/20 0.54
GRIK1 P39086 1/20 0.54
PFKFB2 O60825 1/20 0.43
NSD2 O96028 1/20 0.43
PFKFB1 P16118 1/20 0.43
PFKFB3 Q16875 1/20 0.43
DOT1L Q8TEK3 1/20 0.43
AS3MT Q9HBK9 1/20 0.43
PGR P06401 7/20 0.43
NR3C1 P04150 5/20 0.43
NR3C2 P08235 5/20 0.43
AR P10275 4/20 0.43
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
PTGER4 P35408 1/20 0.41
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL10096281 0.92 GRIK2 (0.44) GRIK2GRIK1PFKFB2NSD2PFKFB1
SCHEMBL979541 0.92 GRIK2 (0.46) GRIK2GRIK1PGRNR3C1NR3C2
SCHEMBL10095663 0.91 GRIK2 (0.45) GRIK2GRIK1PGRNR3C1NR3C2
SCHEMBL10095938 0.89 GRIK2 (0.51) GRIK2GRIK1PFKFB2NSD2PFKFB1
SCHEMBL10095687 0.89 HSP90AA1 (0.50) GRIK2GRIK1PFKFB2NSD2PFKFB1
SCHEMBL10095937 0.89 GRIK2 (0.51) GRIK2GRIK1PFKFB2NSD2PFKFB1
SCHEMBL10095940 0.88 GRIK2 (0.49) GRIK2GRIK1PFKFB2NSD2PFKFB1
SCHEMBL10191563 0.86 GRIK2 (0.59) GRIK2GRIK1PFKFB2NSD2PFKFB1
SCHEMBL10097253 0.86 GRIK2 (0.71) GRIK2GRIK1PFKFB2NSD2PFKFB1
SCHEMBL10097247 0.85 PGR (0.44) GRIK2GRIK1PFKFB2NSD2PFKFB1

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 11 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-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
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 GRIK2 4509/4885GRIK1 4477/4885PFKFB2 3890/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS GRIK2 4399/4885GRIK1 4352/4885PFKFB2 4129/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP GRIK2 4491/4885GRIK1 4307/4885PFKFB2 4202/4885

“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.