SCHEMBL10095698

SCHEMBL10095698

CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.42
PGR P06401 12/20 0.39
KIF11 P52732 1/20 0.34
AR P10275 8/20 0.34
NR3C1 P04150 7/20 0.34
NR3C2 P08235 7/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
IMPDH2 P12268 1/20 0.32
HPGD P15428 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
SCHEMBL10096169 0.94 PGR (0.41) CYP11B2PGRARNR3C1NR3C2
SCHEMBL10095697 0.91 PGR (0.43) PGRKIF11ARNR3C1NR3C2
SCHEMBL10095645 0.90 CYP11B2 (0.44) CYP11B2PGRARNR3C1NR3C2
SCHEMBL10095694 0.89 CYP11B2 (0.54) CYP11B2PGRKIF11ARCYP19A1
SCHEMBL12306833 0.89 CYP11B2 (0.43) CYP11B2PGRARNR3C1NR3C2
SCHEMBL980792 0.88 CYP11B2 (0.42) CYP11B2PGRKIF11ARNR3C1
SCHEMBL12106152 0.87 CYP11B2 (0.32) CYP11B2PGRARNR3C1NR3C2
SCHEMBL12105984 0.87 CYP11B2 (0.42) CYP11B2PGRARNR3C1NR3C2
SCHEMBL12996255 0.87 RORC (0.39) CYP11B2PGRKIF11IMPDH2
SCHEMBL10096170 0.86 MAP2K4 (0.36) CYP11B2PGRARNR3C1NR3C2

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 4483/4885KIF11 3708/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS CYP11B2 1209/4885PGR 3811/4885KIF11 3319/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP CYP11B2 3187/4885PGR 3813/4885KIF11 3790/4885

“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.