SCHEMBL4845391

SCHEMBL4845391

Cc1cc(F)ccc1-c1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C(=O)NCCOc2c(C)cc(C(=O)O)cc2C)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.37
MMP8 P22894 6/20 0.37
MMP3 P08254 4/20 0.37
RORC P51449 1/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGER3 P43115 1/20 0.36
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
ADAM17 P78536 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
XIAP P98170 1/20 0.34
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
LMNA P02545 1/20 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
SCHEMBL4841283 0.95 TRPA1 (0.37) TRPA1MMP8MMP3RORCMAPK1
SCHEMBL4839545 0.94 TRPA1 (0.36) TRPA1MMP8MMP3RORCMAPK1
SCHEMBL4840464 0.94 TRPA1 (0.39) TRPA1MMP8MMP3RORCMAPK1
SCHEMBL4838499 0.94 TRPA1 (0.37) TRPA1MMP8MMP3RORCMAPK1
SCHEMBL4833269 0.93 MMP8 (0.43) TRPA1MMP8MMP3RORCMAPK1
SCHEMBL4843418 0.91 TRPA1 (0.36) TRPA1MMP8MMP3RORCMAPK1
SCHEMBL4845030 0.91 ALDH1A1 (0.40) TRPA1MMP8MMP3RORCMAPK1
SCHEMBL4841408 0.89 TRPA1 (0.36) TRPA1MMP8MMP3RORCMAPK1
SCHEMBL4837504 0.89 TRPA1 (0.36) TRPA1MMP8MMP3RORCMAPK1
SCHEMBL4840901 0.88 TRPA1 (0.39) TRPA1RORCMAPK1SMN1; SMN2PTGER3

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 368/4885MMP8 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.