SCHEMBL4843919

SCHEMBL4843919

COc1cccc2c1CC(C(=O)NCc1ccc(C(=O)O)cc1)N2S(=O)(=O)c1ccc(-c2ccc(F)cc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.41
PKM P14618 1/20 0.40
KLKB1 P03952 2/20 0.39
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
GNRHR P30968 1/20 0.37
PTGS2 P35354 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
KCNH2 Q12809 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GHSR Q92847 1/20 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
SCHEMBL4842180 0.93 PKM (0.40) TRPA1PKM
SCHEMBL4833927 0.93 TRPA1 (0.41) TRPA1PKMKLKB1LMNAMAPK1
SCHEMBL4843138 0.92 TRPA1 (0.41) TRPA1PKMKCNH2
SCHEMBL4834048 0.91 TRPA1 (0.41) TRPA1PKMKLKB1LMNAMAPK1
SCHEMBL4833601 0.89 CA12 (0.40) TRPA1PTGS2GHSR
SCHEMBL4833989 0.88 TRPA1 (0.42) TRPA1PKMKLKB1LMNAMAPK1
SCHEMBL4844332 0.86 MEN1 (0.40) TRPA1LMNAGNRHR
SCHEMBL4833567 0.86 TRPA1 (0.44) TRPA1PKMGNRHR
SCHEMBL4837892 0.84 GHSR (0.41) LMNAHTTPTGS2GHSR
SCHEMBL4841794 0.83 GHSR (0.42) TRPA1LMNANPSR1PTGS2TDP1

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.