SCHEMBL4033632

SCHEMBL4033632

O=C(NCc1ccc(C=NNO)cc1)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.40
BACE1 P56817 1/20 0.40
RORC P51449 4/20 0.39
MMP8 P22894 4/20 0.38
MMP3 P08254 2/20 0.38
LMNA P02545 1/20 0.37
ELANE P08246 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ADAMTS7 Q9UKP4 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
TEAD1 P28347 1/20 0.36
S1PR5 Q9H228 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
SCHEMBL3827372 0.89 RORC (0.46) TRPA1BACE1RORCMMP8MMP3
SCHEMBL4033447 0.88 RORC (0.39) RORCMMP8MMP3KDM4E
Potassium Ion SCHEMBL4841481 0.88 BACE1 (0.47) TRPA1BACE1RORCMMP8MMP3
SCHEMBL4834165 0.88 BACE1 (0.47) TRPA1BACE1RORCMMP8MMP3
SCHEMBL4033777 0.88 BACE1 (0.45) TRPA1BACE1RORCMMP8MMP3
SCHEMBL4842623 0.87 BACE1 (0.47) TRPA1BACE1RORCMMP8MMP3
SCHEMBL4842475 0.87 BACE1 (0.47) TRPA1BACE1RORCMMP8MMP3
SCHEMBL4834178 0.87 BACE1 (0.47) TRPA1BACE1RORCMMP8MMP3
SCHEMBL4844942 0.87 RORC (0.43) TRPA1BACE1RORCMMP8MMP3
Potassium SCHEMBL4841487 0.86 BACE1 (0.46) TRPA1BACE1RORCMMP8MMP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885695-B1 INDOLINE COMPOUNDS FOURNIER LAB SA (FR) 2009-02-25 EP disclosed
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 368/4885BACE1 94/4885RORC 1777/4885

“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.