SCHEMBL10096285

SCHEMBL10096285

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 3/20 0.44
GRIK1 P39086 1/20 0.44
CYP11B2 P19099 2/20 0.43
PGR P06401 4/20 0.43
AS3MT Q9HBK9 3/20 0.38
PFKFB2 O60825 3/20 0.38
PFKFB1 P16118 3/20 0.38
PFKFB3 Q16875 3/20 0.38
NSD2 O96028 2/20 0.38
DOT1L Q8TEK3 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ESR1 P03372 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL10096329 0.94 PGR (0.46) GRIK2GRIK1CYP11B2PGRAS3MT
SCHEMBL10096281 0.92 GRIK2 (0.44) GRIK2GRIK1PGRAS3MTPFKFB2
SCHEMBL10095306 0.92 CYP11B2 (0.46) GRIK2GRIK1CYP11B2PGRMEN1
SCHEMBL10096286 0.90 PGR (0.42) GRIK2GRIK1CYP11B2PGRAS3MT
SCHEMBL10095751 0.89 CYP11B2 (0.55) GRIK2GRIK1CYP11B2PGRAS3MT
SCHEMBL10096287 0.88 GRIK2 (0.41) GRIK2GRIK1CYP11B2AS3MTPFKFB2
SCHEMBL10095937 0.87 GRIK2 (0.51) GRIK2GRIK1CYP11B2PGRAS3MT
SCHEMBL10095794 0.87 PGR (0.46) GRIK2GRIK1CYP11B2PGRMEN1
SCHEMBL10095873 0.87 CYP11B2 (0.44) GRIK2GRIK1CYP11B2PGRMEN1
SCHEMBL10095877 0.86 AR (0.53) CYP11B2PGRAS3MTPFKFB2PFKFB1

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 18 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
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO 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 3372/4885CYP11B2 808/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS GRIK2 2948/4885GRIK1 2562/4885CYP11B2 1863/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS GRIK2 2948/4885GRIK1 2562/4885CYP11B2 1863/4885
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.