SCHEMBL10249433

SCHEMBL10249433

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 1/20 0.36
AR P10275 1/20 0.34
KIT P10721 4/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
PLK4 O00444 1/20 0.32
DCLK1 O15075 1/20 0.32
DAPK3 O43293 1/20 0.32
DYRK3 O43781 1/20 0.32
JAK2 O60674 1/20 0.32
ROCK2 O75116 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
CDK1 P06493 1/20 0.32
ROS1 P08922 1/20 0.32
PRKACA P17612 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
SCHEMBL10097376 0.94 AR (0.41) SGK1ARKITCA12CA1
SCHEMBL10249318 0.92 PLK4 (0.40) SGK1ARKITCA12CA1
SCHEMBL10252757 0.91 PLK4 (0.37) SGK1ARKITPLK4DAPK3
SCHEMBL13153271 0.89 GRIK2 (0.40) SGK1ARKITPLK4DCLK1
SCHEMBL13152664 0.89 SGK1 (0.37) SGK1ARKITCA12CA1
SCHEMBL10252484 0.88 PLK4 (0.40) SGK1ARKITCA12CA1
SCHEMBL10095723 0.87 CYP11B2 (0.37) SGK1ARKITGRIK1GRIK2
SCHEMBL10249405 0.87 NPC1 (0.42) ARPLK4DAPK3DYRK3JAK2
SCHEMBL13151765 0.85 BRD4 (0.35) GRIK1GRIK2NPC1RAB9AAPP
SCHEMBL10249355 0.83 NPC1 (0.42) ARPLK4DAPK3DYRK3JAK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO 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 (1 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS SGK1 4291/4885AR 4848/4885KIT 3397/4885

“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.