SCHEMBL4033378

SCHEMBL4033378

Nc1ccccc1OCCNC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.40
TRPA1 O75762 1/20 0.39
ITGB3 P05106 5/20 0.38
ITGAV P06756 5/20 0.38
ITGA2B P08514 5/20 0.38
MMP8 P22894 4/20 0.38
MMP3 P08254 2/20 0.38
PTGER3 P43115 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
SCHEMBL4039136 0.94 RORC (0.41) RORCTRPA1
SCHEMBL4036761 0.92 RORC (0.38) RORCTRPA1ITGB3ITGAVITGA2B
SCHEMBL4843267 0.90 RORC (0.41) RORCTRPA1MMP8MMP3
SCHEMBL4841542 0.89 RORC (0.42) RORCTRPA1MMP8MMP3
SCHEMBL4841372 0.89 TRPA1 (0.39) RORCTRPA1MMP8MMP3
SCHEMBL4039661 0.87 TRPA1 (0.40) RORCTRPA1MMP8
SCHEMBL4842217 0.87 RORC (0.39) RORCTRPA1MMP8MMP3
SCHEMBL4841404 0.87 RORC (0.42) RORCTRPA1MMP8MMP3PTGER3
SCHEMBL4031510 0.87 RORC (0.40) RORCTRPA1MMP8MMP3PTGER3
SCHEMBL4839389 0.86 RORC (0.39) RORCTRPA1MMP8MMP3

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
EP-1885695-B1 INDOLINE COMPOUNDS FOURNIER LAB SA (FR) 2009-02-25 EP 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 1777/4885TRPA1 368/4885ITGB3 4801/4885

“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.