SCHEMBL7096906

SCHEMBL7096906

COc1ccc(C(=S)NC(=N)c2cccc(CN(C)C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.46
PRSS1 P07477 4/20 0.46
SCN9A Q15858 1/20 0.44
ROCK2 O75116 1/20 0.43
CYP2C9 P11712 1/20 0.43
ROCK1 Q13464 1/20 0.43
CDC42BPA Q5VT25 1/20 0.43
F2 P00734 1/20 0.43

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
SCHEMBL7094508 0.92 F10 (0.49) F10PRSS1F2
SCHEMBL7096840 0.91 ROCK2 (0.46) F10PRSS1ROCK2
SCHEMBL7097783 0.91 F10 (0.45) F10PRSS1ROCK2F2
SCHEMBL7096630 0.91 F10 (0.45) F10PRSS1F2
SCHEMBL7093555 0.90 F10 (0.46) F10PRSS1F2
SCHEMBL7088543 0.89 SCN9A (0.45) F10PRSS1SCN9AF2
SCHEMBL7098172 0.89 F10 (0.45) F10PRSS1
SCHEMBL7070528 0.89 SCN9A (0.47) F10PRSS1SCN9AF2
SCHEMBL7097270 0.89 SCN9A (0.46) F10PRSS1SCN9AROCK2F2
SCHEMBL7099716 0.89 F10 (0.44) F10PRSS1F2

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-20030171579-A1 Urethane derivatives MERCK PATENT GMBH (DE) 2003-09-11 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-20030171579-A1 Urethane derivatives UTS2R, PLAUR, IL1A F10 42/4885PRSS1 371/4885SCN9A 3989/4885

“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.