SCHEMBL10095680

SCHEMBL10095680

CCn1c(-c2cccc(NS(=O)(=O)CC)c2)c(C#N)c2cc(OC)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 4/20 0.49
GRIK1 P39086 2/20 0.46
CYP11B2 P19099 2/20 0.45
ALDH1A1 P00352 3/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
AR P10275 1/20 0.43
HSP90AA1 P07900 2/20 0.42
HSP90AB1 P08238 1/20 0.42
PFKFB2 O60825 1/20 0.40
NSD2 O96028 1/20 0.40
PFKFB1 P16118 1/20 0.40
PFKFB3 Q16875 1/20 0.40
DOT1L Q8TEK3 1/20 0.40
AS3MT Q9HBK9 1/20 0.40
BRD4 O60885 2/20 0.39
BRDT Q58F21 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 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
SCHEMBL10095478 0.92 CYP11B2 (0.47) GRIK2GRIK1CYP11B2ALDH1A1PKM
SCHEMBL10095687 0.92 HSP90AA1 (0.50) GRIK2GRIK1ALDH1A1PKMTSHR
SCHEMBL10097269 0.89 CYP11B2 (0.57) GRIK2CYP11B2ALDH1A1PKMAR
SCHEMBL12105278 0.87 AS3MT (0.48) GRIK2CYP11B2ALDH1A1ARHSP90AA1
SCHEMBL10095665 0.87 GRIK2 (0.45) GRIK2GRIK1CYP11B2ALDH1A1PKM
SCHEMBL13152114 0.85 GRIK2 (0.49) GRIK2GRIK1ALDH1A1PKMTSHR
SCHEMBL10095771 0.85 CYP11B2 (0.48) CYP11B2ALDH1A1PKMTSHRMAPK1
SCHEMBL10097262 0.85 HSP90AA1 (0.50) GRIK2GRIK1CYP11B2ALDH1A1PKM
SCHEMBL10095475 0.83 CYP11B2 (0.39) GRIK2GRIK1CYP11B2ALDH1A1PKM
SCHEMBL10095711 0.83 GRIK2 (0.41) GRIK2GRIK1CYP11B2ALDH1A1PKM

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 12 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
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 4477/4885CYP11B2 1649/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS GRIK2 4399/4885GRIK1 4352/4885CYP11B2 1209/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP GRIK2 4491/4885GRIK1 4307/4885CYP11B2 3187/4885

“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.