SCHEMBL4841601

SCHEMBL4841601

COc1cccc2c1CC(C(=O)NCCOc1ccc(C(=O)O)cc1)N2S(=O)(=O)c1ccc(-c2ccc(F)cc2OC(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.39
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA9 Q16790 2/20 0.35
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 2/20 0.34
ERAP1 Q9NZ08 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
RORC P51449 2/20 0.33

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
SCHEMBL4842652 0.92 TRPA1 (0.38) TRPA1PDE4APDE4BPDE4CPDE4D
SCHEMBL4833601 0.92 CA12 (0.40) TRPA1CA12CA1CA2CA4
SCHEMBL4841989 0.91 TRPA1 (0.37) TRPA1CA12CA1CA2CA4
SCHEMBL4842551 0.90 ALDH1A1 (0.41) TRPA1ALDH1A1RAB9AMAPTTP53
SCHEMBL4843138 0.89 TRPA1 (0.41) TRPA1PKM
SCHEMBL4839568 0.89 TRPA1 (0.42) TRPA1CA12CA1CA2CA4
SCHEMBL4844870 0.86 MAPT (0.42) TRPA1CA12CA1CA2CA4
SCHEMBL4843678 0.84 TRPA1 (0.38) TRPA1CA12CA1CA2CA4
SCHEMBL4842910 0.83 TRPA1 (0.37) TRPA1CA12CA1CA2CA9
SCHEMBL4837466 0.82 TRPA1 (0.40) TRPA1PDE4APDE4BPDE4CPDE4D

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 368/4885PDE4A 1988/4885PDE4B 2420/4885

“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.