SCHEMBL10095451

SCHEMBL10095451

CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.44
GRIK2 Q13002 3/20 0.43
GRIK1 P39086 1/20 0.43
KDM4E B2RXH2 3/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP11B2 P19099 2/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
PABPC1 P11940 1/20 0.38
CASP3 P42574 1/20 0.38
KMT2A Q03164 1/20 0.38
NCOA1 Q15788 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NCOA3 Q9Y6Q9 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
SCHEMBL10251945 0.94 GRIK2 (0.42) PGRGRIK2GRIK1KDM4EMAPK1
SCHEMBL10095794 0.93 PGR (0.46) PGRGRIK2GRIK1KDM4EMAPK1
SCHEMBL10095333 0.93 GRIK2 (0.46) PGRGRIK2GRIK1KDM4EMAPK1
SCHEMBL10096282 0.93 PGR (0.43) PGRGRIK2GRIK1KDM4EMAPK1
SCHEMBL10095937 0.92 GRIK2 (0.51) PGRGRIK2GRIK1KDM4EALDH1A1
SCHEMBL10095872 0.92 PGR (0.45) PGRKDM4EMAPK1HTTHSD17B10
SCHEMBL980509 0.91 GRIK2 (0.41) PGRGRIK2GRIK1KDM4EMAPK1
SCHEMBL10095468 0.90 GRIK2 (0.43) PGRGRIK2GRIK1KDM4EMAPK1
SCHEMBL979541 0.89 GRIK2 (0.46) PGRGRIK2GRIK1KDM4EMAPK1
SCHEMBL10096179 0.89 PGR (0.42) PGRCYP11B2BRD4DYRK1APLK4

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 PGR 4483/4885GRIK2 4509/4885GRIK1 4477/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS PGR 3811/4885GRIK2 4399/4885GRIK1 4352/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP PGR 3813/4885GRIK2 4491/4885GRIK1 4307/4885

“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.