SCHEMBL4842325

SCHEMBL4842325

O=C(O)c1ccccc1CNC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.46
RORC P51449 7/20 0.43
MMP8 P22894 6/20 0.42
MMP3 P08254 3/20 0.42
ACLY P53396 2/20 0.41

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
SCHEMBL4030356 0.90 TRPA1 (0.47) TRPA1RORCMMP8MMP3
SCHEMBL4036756 0.90 TRPA1 (0.53) TRPA1RORCMMP8MMP3
SCHEMBL4035845 0.90 TRPA1 (0.47) TRPA1RORCMMP8MMP3
SCHEMBL4839697 0.90 TRPA1 (0.43) TRPA1RORCMMP8MMP3
SCHEMBL4035280 0.90 LMNA (0.49) TRPA1RORCMMP8MMP3
SCHEMBL4839816 0.90 TRPA1 (0.46) TRPA1RORCMMP8MMP3
SCHEMBL4033657 0.90 TP53 (0.47) TRPA1RORCMMP8MMP3
SCHEMBL3827372 0.89 RORC (0.46) TRPA1RORCMMP8MMP3
SCHEMBL4843317 0.89 TRPA1 (0.45) TRPA1RORCMMP8MMP3
SCHEMBL4841442 0.89 TRPA1 (0.43) TRPA1RORCMMP8MMP3

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 368/4885RORC 1777/4885MMP8 3968/4885

“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.