SCHEMBL1032219

SCHEMBL1032219

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.42
CYP11B2 P19099 2/20 0.37
BRD4 O60885 1/20 0.36
BRAF P15056 4/20 0.35
PLK4 O00444 3/20 0.35
DAPK3 O43293 3/20 0.35
JAK2 O60674 3/20 0.35
CDK1 P06493 3/20 0.35
RPS6KB1 P23443 3/20 0.35
CDK2 P24941 3/20 0.35
TYK2 P29597 3/20 0.35
CLK2 P49760 3/20 0.35
JAK3 P52333 3/20 0.35
LIMK1 P53667 3/20 0.35
CDK5 Q00535 3/20 0.35
DYRK1A Q13627 3/20 0.35
PKN2 Q16513 3/20 0.35
HIPK4 Q8NE63 3/20 0.35
AURKB Q96GD4 3/20 0.35
CLK4 Q9HAZ1 3/20 0.35

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
SCHEMBL980792 0.94 CYP11B2 (0.42) PGRCYP11B2BRD4PFKFB2NSD2
SCHEMBL10096224 0.92 CYP11B2 (0.38) PGRCYP11B2PFKFB2NSD2PFKFB1
SCHEMBL10095848 0.90 PGR (0.38) PGRCYP11B2BRD4BRAFPLK4
SCHEMBL10096179 0.89 PGR (0.42) PGRCYP11B2BRD4BRAFPLK4
SCHEMBL10095451 0.89 PGR (0.44) PGRCYP11B2BRD4BRAFPLK4
SCHEMBL10096169 0.89 PGR (0.41) PGRCYP11B2BRD4BRAFPLK4
SCHEMBL10096229 0.88 PGR (0.39) PGRCYP11B2BRD4PFKFB2NSD2
SCHEMBL10095696 0.88 CYP11B2 (0.43) PGRCYP11B2BRD4NR3C1NR3C2
SCHEMBL10095975 0.88 CYP11B2 (0.42) PGRCYP11B2BRD4PFKFB2NSD2
SCHEMBL10095722 0.87 PGR (0.41) PGRCYP11B2BRD4BRAFPLK4

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 27 patents — showing the first 20. 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-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-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US 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-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 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
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS PGR 1823/4885CYP11B2 1863/4885BRD4 1478/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS PGR 1203/4885CYP11B2 808/4885BRD4 1149/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS PGR 1823/4885CYP11B2 1863/4885BRD4 1478/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP PGR 3813/4885CYP11B2 3187/4885BRD4 1335/4885

“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.