SCHEMBL4841408

SCHEMBL4841408

Cc1cc(F)ccc1-c1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C(=O)NCCOc2ccc(C(=O)O)cc2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.36
RORC P51449 1/20 0.35
MAPK1 P28482 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PTGER3 P43115 1/20 0.34
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
PPARD Q03181 2/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
POLB P06746 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
MMP3 P08254 2/20 0.34
MMP8 P22894 2/20 0.34

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
SCHEMBL4843418 0.95 TRPA1 (0.36) TRPA1RORCMAPK1MAPTSMN1; SMN2
SCHEMBL4845155 0.94 TRPA1 (0.36) TRPA1RORCMAPK1HCAR2MAPT
SCHEMBL4837224 0.94 HCRTR1 (0.37) TRPA1RORCMAPK1PTGER3PPARD
SCHEMBL4842573 0.93 MAPT (0.39) TRPA1RORCMAPT
SCHEMBL4843479 0.92 TRPA1 (0.39) TRPA1RORCPPARDPPARGPPARA
SCHEMBL4841785 0.92 MAPT (0.36) TRPA1RORCMAPK1MAPTSMN1; SMN2
SCHEMBL4845148 0.92 TSHR (0.36) TRPA1RORCMAPK1MAPTSMN1; SMN2
SCHEMBL4839693 0.91 MMP8 (0.41) TRPA1RORCMAPTSMN1; SMN2PTGER3
SCHEMBL4845030 0.91 ALDH1A1 (0.40) TRPA1RORCMAPK1PTGER3MMP3
SCHEMBL4839598 0.90 MAPT (0.39) TRPA1MAPT

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 1777/4885MAPK1 870/4885

“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.