SCHEMBL503794

SCHEMBL503794

CCc1cc(SCc2cc(N3CCC(F)(F)CC3)cc(NC(=O)OC(C)(C)C)n2)n[nH]1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.38
KCNH2 Q12809 2/20 0.31
TSHR P16473 1/20 0.31
FSHR P23945 1/20 0.31
NPY1R P25929 2/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
KIF18A Q8NI77 5/20 0.31
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL503769 0.84 KCNH2 (0.33) SCN9AKCNH2TSHRFSHRNPY1R
SCHEMBL13012098 0.84 SCN9A (0.35) SCN9ATSHRFSHRNPY1RKCNQ3
SCHEMBL962961 0.80 NPY1R (0.50) KCNH2NPY1RKIF18A
SCHEMBL112418 0.80 SCN9A (0.34) SCN9AKCNH2TSHRFSHRNPY1R
SCHEMBL13688205 0.80 KCNQ2 (0.39) KCNH2TSHRFSHRKCNQ3KCNQ2
SCHEMBL113691 0.75 KIF18A (0.37) TSHRFSHRKCNQ3KCNQ2KIF18A
SCHEMBL963958 0.73 KCNH2 (0.37) KCNH2TSHRFSHRNPY1RKCNQ3
SCHEMBL963106 0.72 TSHR (0.38) TSHRFSHRKCNQ3KCNQ2KIF18A
SCHEMBL960582 0.72 KCNH2 (0.49) KCNH2NPY1RKIF18A
SCHEMBL113359 0.71 ALOX5AP (0.34) KCNH2TSHRFSHRKCNQ3KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028970-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE MSD K.K. (JP) 2012-02-02 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 (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-20120028970-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE AR, NR5A1, ARL1 SCN9A 3772/4885KCNH2 3202/4885TSHR 2273/4885

“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.