SCHEMBL4841283

SCHEMBL4841283

Cc1cc(C(=O)O)cc(C)c1OCCNC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2ccc(F)cc2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA9 Q16790 2/20 0.36
RORC P51449 1/20 0.36
MMP8 P22894 3/20 0.36
MMP3 P08254 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PTGER3 P43115 1/20 0.35
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
ADAM17 P78536 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTGS2 P35354 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
SCHEMBL4845391 0.95 TRPA1 (0.37) TRPA1RORCMMP8MMP3MAPK1
SCHEMBL4837504 0.94 TRPA1 (0.36) TRPA1CA12CA1CA2CA4
SCHEMBL4839545 0.93 TRPA1 (0.36) TRPA1RORCMMP8MMP3MAPK1
SCHEMBL4840464 0.93 TRPA1 (0.39) TRPA1RORCMMP8MMP3MAPK1
SCHEMBL4833269 0.93 MMP8 (0.43) TRPA1RORCMMP8MMP3MAPK1
SCHEMBL4845148 0.92 TSHR (0.36) TRPA1CA12CA1CA2CA4
SCHEMBL4833757 0.89 CA12 (0.42) TRPA1CA12CA1CA2CA4
SCHEMBL4838499 0.89 TRPA1 (0.37) TRPA1RORCMMP8MMP3MAPK1
SCHEMBL4837224 0.88 HCRTR1 (0.37) TRPA1CA12CA1CA2CA4
SCHEMBL4840901 0.87 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 368/4885CA12 4875/4885CA1 4641/4885

“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.