SCHEMBL10096210

SCHEMBL10096210

CCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OCCF)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.38
PFKFB2 O60825 2/20 0.35
PFKFB1 P16118 2/20 0.35
PFKFB3 Q16875 2/20 0.35
NSD2 O96028 1/20 0.35
DOT1L Q8TEK3 1/20 0.35
AS3MT Q9HBK9 1/20 0.35
NR3C1 P04150 4/20 0.34
NR3C2 P08235 4/20 0.34
AR P10275 3/20 0.34
GRIK2 Q13002 2/20 0.34
GRIK1 P39086 1/20 0.34
BRD4 O60885 1/20 0.34
ESR1 P03372 2/20 0.33
CYP11B2 P19099 2/20 0.33
APP P05067 1/20 0.33
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP13 P45452 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL10095720 0.90 PGR (0.42) PGRPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL10095721 0.90 CYP11B2 (0.42) PGRPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL10095334 0.88 GRIK2 (0.43) PGRNR3C1NR3C2ARGRIK2
SCHEMBL10095722 0.88 PGR (0.41) PGRPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL10096229 0.88 PGR (0.39) PGRPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL10096181 0.87 PGR (0.39) PGRPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL13151765 0.86 BRD4 (0.35) PGRGRIK2GRIK1BRD4APP
SCHEMBL10096254 0.86 AR (0.39) PGRPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL10095725 0.86 PRMT6 (0.35) PFKFB2PFKFB1PFKFB3NSD2DOT1L
SCHEMBL10095723 0.85 CYP11B2 (0.37) PGRPFKFB2PFKFB1PFKFB3NSD2

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 16 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
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 1203/4885PFKFB2 3865/4885PFKFB1 3840/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS PGR 1823/4885PFKFB2 4493/4885PFKFB1 4524/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS PGR 1823/4885PFKFB2 4493/4885PFKFB1 4524/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP PGR 3813/4885PFKFB2 4202/4885PFKFB1 4102/4885

“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.