SCHEMBL10095604

SCHEMBL10095604

CCOc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.47
LMNA P02545 2/20 0.45
MAPK1 P28482 2/20 0.45
PGR P06401 7/20 0.43
NR3C1 P04150 4/20 0.43
NR3C2 P08235 4/20 0.43
AR P10275 3/20 0.43
CYP11B1 P15538 2/20 0.42
CYP19A1 P11511 1/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KAT2B Q92831 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAOA P21397 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
SCHEMBL10095597 0.92 CYP11B2 (0.56) CYP11B2LMNAMAPK1PGRAR
SCHEMBL10095594 0.89 MAPK1 (0.42) CYP11B2LMNAMAPK1PGRNR3C1
SCHEMBL10095605 0.89 PGR (0.45) CYP11B2LMNAMAPK1PGRNR3C1
SCHEMBL10095529 0.89 PGR (0.46) CYP11B2LMNAMAPK1PGRNR3C1
SCHEMBL10095598 0.87 PGR (0.43) CYP11B2LMNAMAPK1PGRNR3C1
SCHEMBL10095649 0.85 PGR (0.41) CYP11B2LMNAMAPK1PGRNR3C1
SCHEMBL10095693 0.85 PGR (0.42) CYP11B2PGRNR3C1NR3C2AR
SCHEMBL13152086 0.84 LMNA (0.47) LMNAMAPK1ARNPC1RAB9A
SCHEMBL10095651 0.84 LMNA (0.40) CYP11B2LMNAMAPK1PGRNR3C1
SCHEMBL14206032 0.84 LTA4H (0.47) CYP11B2NPC1RAB9AALDH1A1MAOA

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 1649/4885LMNA 4373/4885MAPK1 3303/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS CYP11B2 1209/4885LMNA 3101/4885MAPK1 4384/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP CYP11B2 3187/4885LMNA 4367/4885MAPK1 3869/4885

“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.