SCHEMBL4843678

SCHEMBL4843678

COc1cccc2c1CC(C(=O)NCCOc1ccc(C(=O)OC(C)(C)C)cc1)N2S(=O)(=O)c1ccc(-c2ccc(F)cc2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.38
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA9 Q16790 4/20 0.37
CA4 P22748 3/20 0.37
RORC P51449 2/20 0.35
GHSR Q92847 1/20 0.35
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL4842910 0.94 TRPA1 (0.37) TRPA1CA12CA1CA2CA9
SCHEMBL4839140 0.93 ALDH1A1 (0.39) TRPA1CA12CA1CA2CA9
SCHEMBL4842652 0.92 TRPA1 (0.38) TRPA1CA12CA1CA2CA9
SCHEMBL4833601 0.92 CA12 (0.40) TRPA1CA12CA1CA2CA9
SCHEMBL4843300 0.90 TRPA1 (0.39) TRPA1CA12CA1CA2CA9
SCHEMBL4836980 0.89 CA12 (0.40) TRPA1CA12CA1CA2CA9
SCHEMBL4840531 0.89 RORC (0.39) TRPA1CA12CA1CA2CA9
SCHEMBL4841040 0.88 MAPT (0.40) TRPA1RORCALDH1A1MAPTTP53
SCHEMBL4841989 0.85 TRPA1 (0.37) TRPA1CA12CA1CA2CA9
SCHEMBL4841601 0.84 TRPA1 (0.39) TRPA1CA12CA1CA2CA9

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 368/4885CA12 4875/4885CA1 4641/4885

“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.