SCHEMBL4834048

SCHEMBL4834048

COC(=O)Cc1ccc(CNC(=O)C2Cc3c(OC)cccc3N2S(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.41
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 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
KLKB1 P03952 1/20 0.36
GHSR Q92847 1/20 0.36
TP53 P04637 1/20 0.36
KCNH2 Q12809 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
SCHEMBL4833927 0.94 TRPA1 (0.41) TRPA1PKML3MBTL1LMNAMAPK1
SCHEMBL4843919 0.91 TRPA1 (0.41) TRPA1PKML3MBTL1LMNAMAPK1
SCHEMBL4841593 0.89 TRPA1 (0.40) TRPA1LMNA
SCHEMBL4842502 0.87 TRPA1 (0.43) TRPA1PKMLMNASCN9AKCNH2
SCHEMBL4840659 0.85 BACE1 (0.43) TRPA1NPSR1
SCHEMBL4842180 0.84 PKM (0.40) TRPA1PKMTP53
SCHEMBL4841794 0.83 GHSR (0.42) TRPA1LMNANPSR1GHSR
SCHEMBL4843138 0.83 TRPA1 (0.41) TRPA1PKMKCNH2
SCHEMBL4837892 0.82 GHSR (0.41) LMNAHTTGHSR
SCHEMBL4842724 0.82 TRPA1 (0.40) TRPA1LMNATP53

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 1415/4885L3MBTL1 1493/4885

“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.