SCHEMBL4843138

SCHEMBL4843138

COc1cccc2c1CC(C(=O)NCc1ccc(C(=O)O)cc1)N2S(=O)(=O)c1ccc(-c2ccc(F)cc2OC(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 10/20 0.41
PKM P14618 1/20 0.38
WDR5 P61964 1/20 0.37
KCNH2 Q12809 2/20 0.36

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
SCHEMBL4843919 0.92 TRPA1 (0.41) TRPA1PKMKCNH2
SCHEMBL4842180 0.90 PKM (0.40) TRPA1PKM
SCHEMBL4841601 0.89 TRPA1 (0.39) TRPA1PKM
SCHEMBL4841170 0.89 TRPA1 (0.44) TRPA1
SCHEMBL4833927 0.84 TRPA1 (0.41) TRPA1PKM
SCHEMBL4834048 0.83 TRPA1 (0.41) TRPA1PKMKCNH2
SCHEMBL4842652 0.82 TRPA1 (0.38) TRPA1
SCHEMBL4833601 0.81 CA12 (0.40) TRPA1
SCHEMBL4833989 0.80 TRPA1 (0.42) TRPA1PKM
SCHEMBL4841989 0.80 TRPA1 (0.37) TRPA1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 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-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 TRPA1 368/4885PKM 1415/4885WDR5 686/4885

“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.