SCHEMBL4036655

SCHEMBL4036655

O=C(NCCOc1cccnn1)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RORC P51449 11/20 0.39
MMP8 P22894 4/20 0.36
MMP3 P08254 2/20 0.36
KDM2B Q8NHM5 1/20 0.36
TRPA1 O75762 3/20 0.36
PTGER3 P43115 1/20 0.35

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
SCHEMBL4031510 0.92 RORC (0.40) RORCMMP8MMP3KDM2BTRPA1
SCHEMBL4841404 0.88 RORC (0.42) RORCMMP8MMP3TRPA1PTGER3
SCHEMBL4841425 0.87 KMT2A (0.42) RORC
SCHEMBL4033378 0.85 RORC (0.40) RORCMMP8MMP3TRPA1PTGER3
SCHEMBL4843267 0.84 RORC (0.41) RORCMMP8MMP3TRPA1
SCHEMBL4840319 0.84 RORC (0.43) RORCMMP8MMP3
SCHEMBL4840605 0.83 RORC (0.44) RORCMMP8MMP3
SCHEMBL4035496 0.83 RORC (0.41) RORCMMP8MMP3TRPA1
SCHEMBL4840586 0.83 RORC (0.40) RORCMMP8MMP3TRPA1
SCHEMBL4841372 0.83 TRPA1 (0.39) RORCMMP8MMP3TRPA1

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 RORC 1777/4885MMP8 3968/4885MMP3 3739/4885

“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.