SCHEMBL10095877

SCHEMBL10095877

CCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(OCc3ccccc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.53
AS3MT Q9HBK9 4/20 0.50
CYP11B2 P19099 2/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NSD2 O96028 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PFKFB2 O60825 1/20 0.38
PFKFB1 P16118 1/20 0.38
PFKFB3 Q16875 1/20 0.38
PGR P06401 1/20 0.38
IMPDH2 P12268 1/20 0.38
ESR1 P03372 1/20 0.38

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
SCHEMBL10096220 0.93 AR (0.53) ARAS3MTCYP11B2NPC1RAB9A
SCHEMBL10096215 0.92 AS3MT (0.48) ARAS3MTCYP11B2NPC1RAB9A
SCHEMBL10096222 0.88 AR (0.49) ARAS3MTCYP11B2NPC1RAB9A
SCHEMBL13152630 0.87 AR (0.55) ARAS3MTNPC1RAB9AHPGD
SCHEMBL10096285 0.86 GRIK2 (0.44) AS3MTCYP11B2NPC1RAB9AHPGD
SCHEMBL10096219 0.86 AR (0.51) ARAS3MTCYP11B2NPC1RAB9A
SCHEMBL12105278 0.84 AS3MT (0.48) ARAS3MTCYP11B2NPC1RAB9A
SCHEMBL10096218 0.83 AS3MT (0.41) ARAS3MTCYP11B2NPC1RAB9A
SCHEMBL10095592 0.82 CYP11B2 (0.45) ARCYP11B2MEN1KMT2APGR
SCHEMBL12105762 0.82 AS3MT (0.43) ARAS3MTCYP11B2NSD2PFKFB2

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 AR 4296/4885AS3MT 620/4885CYP11B2 1649/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS AR 4848/4885AS3MT 785/4885CYP11B2 1209/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP AR 4702/4885AS3MT 2197/4885CYP11B2 3187/4885

“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.