SCHEMBL4833989

SCHEMBL4833989

COc1cccc2c1N(S(=O)(=O)c1ccc(-c3ccc(F)cc3F)cc1)C(C(=O)NCc1ccc(C(=O)O)cc1)C2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 11/20 0.42
PKM P14618 1/20 0.40
KLKB1 P03952 2/20 0.39
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL4834156 0.89 CA12 (0.40) TRPA1MAPT
SCHEMBL4843919 0.88 TRPA1 (0.41) TRPA1PKMKLKB1LMNAMAPK1
SCHEMBL4844332 0.86 MEN1 (0.40) TRPA1MAPTLMNA
SCHEMBL4833567 0.86 TRPA1 (0.44) TRPA1PKMMAPT
SCHEMBL4843151 0.84 GHSR (0.41) MAPTLMNA
SCHEMBL4844932 0.83 GHSR (0.42) TRPA1MAPTLMNANPSR1
SCHEMBL4842180 0.81 PKM (0.40) TRPA1PKM
SCHEMBL4833927 0.81 TRPA1 (0.41) TRPA1PKMKLKB1LMNAMAPK1
SCHEMBL4843300 0.81 TRPA1 (0.39) TRPA1MAPT
SCHEMBL4843138 0.80 TRPA1 (0.41) 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 1415/4885KLKB1 2906/4885

“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.