SCHEMBL10095306

SCHEMBL10095306

CCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.46
PGR P06401 5/20 0.43
DYRK1A Q13627 3/20 0.41
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PABPC1 P11940 1/20 0.39
CASP3 P42574 1/20 0.39
KMT2A Q03164 1/20 0.39
NCOA1 Q15788 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
PDE5A O76074 1/20 0.37
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 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
SCHEMBL10095794 0.94 PGR (0.46) CYP11B2PGRDYRK1AKDM4EMAPK1
SCHEMBL10095873 0.94 CYP11B2 (0.44) CYP11B2PGRDYRK1AKDM4EMAPK1
SCHEMBL10095839 0.92 CYP11B2 (0.44) CYP11B2PGRDYRK1AKDM4EMAPK1
SCHEMBL10096285 0.92 GRIK2 (0.44) CYP11B2PGRKDM4EMEN1KMT2A
SCHEMBL10095530 0.92 PGR (0.42) CYP11B2PGRDYRK1AKDM4EMAPK1
SCHEMBL10095333 0.92 GRIK2 (0.46) CYP11B2PGRDYRK1AKDM4EMAPK1
SCHEMBL10095592 0.91 CYP11B2 (0.45) CYP11B2PGRKDM4EMAPK1HTT
SCHEMBL10096276 0.90 CYP11B2 (0.44) CYP11B2PGRDYRK1AKDM4EMAPK1
SCHEMBL10095985 0.90 CYP11B2 (0.40) CYP11B2PGRDYRK1AKDM4EMAPK1
SCHEMBL10095795 0.90 IMPDH2 (0.48) CYP11B2PGRDYRK1AKDM4EMAPK1

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 CYP11B2 1649/4885PGR 4483/4885DYRK1A 2654/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS CYP11B2 1209/4885PGR 3811/4885DYRK1A 4862/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP CYP11B2 3187/4885PGR 3813/4885DYRK1A 4524/4885

“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.