SCHEMBL10096172

SCHEMBL10096172

CCn1c(-c2ccc(NS(=O)(=O)CC)c(F)c2)c(C#N)c2ccc(OC)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.48
ACLY P53396 1/20 0.40
GRIK2 Q13002 3/20 0.40
GRIK1 P39086 1/20 0.40
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
CYP11B2 P19099 2/20 0.38
DYRK1A Q13627 2/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
PABPC1 P11940 1/20 0.37
CASP3 P42574 1/20 0.37
KMT2A Q03164 1/20 0.37
NCOA1 Q15788 1/20 0.37
SENP6 Q9GZR1 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
SCHEMBL10096173 0.94 KIT (0.45) PGRACLYGRIK2GRIK1HSD17B10
SCHEMBL10096175 0.91 PGR (0.39) PGRACLYGRIK2GRIK1HSD17B10
SCHEMBL10096249 0.90 GRIK2 (0.43) PGRACLYGRIK2GRIK1HSD17B10
SCHEMBL10096174 0.89 KDM4E (0.38) PGRGRIK2GRIK1HSD17B10KDM4E
SCHEMBL10096176 0.86 GRIK2 (0.40) GRIK2GRIK1HSD17B10KDM4EMAPK1
SCHEMBL14466611 0.86 ACLY (0.42) PGRACLYGRIK2GRIK1HSD17B10
SCHEMBL10095333 0.85 GRIK2 (0.46) PGRGRIK2GRIK1HSD17B10KDM4E
SCHEMBL10096253 0.84 GRIK2 (0.41) PGRGRIK2GRIK1HSD17B10KDM4E
SCHEMBL10096177 0.84 ALDH1A1 (0.41) GRIK2GRIK1HSD17B10KDM4EMAPK1
SCHEMBL10095478 0.83 CYP11B2 (0.47) GRIK2GRIK1HSD17B10KDM4EMAPK1

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 PGR 1203/4885ACLY 538/4885GRIK2 3701/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS PGR 1823/4885ACLY 709/4885GRIK2 2948/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS PGR 1823/4885ACLY 709/4885GRIK2 2948/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP PGR 3813/4885ACLY 978/4885GRIK2 4491/4885

“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.