SCHEMBL4833601

SCHEMBL4833601

COc1cccc2c1CC(C(=O)NCCOc1ccc(C(=O)O)cc1)N2S(=O)(=O)c1ccc(-c2ccc(F)cc2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA4 P22748 3/20 0.40
CA9 Q16790 3/20 0.40
TRPA1 O75762 4/20 0.38
GHSR Q92847 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
FEN1 P39748 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
PTGS2 P35354 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
THRB P10828 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
SCHEMBL4841989 0.93 TRPA1 (0.37) CA12CA1CA2CA4CA9
SCHEMBL4842551 0.92 ALDH1A1 (0.41) TRPA1ALDH1A1RAB9AMAPTTP53
SCHEMBL4841601 0.92 TRPA1 (0.39) CA12CA1CA2CA4CA9
SCHEMBL4843678 0.92 TRPA1 (0.38) CA12CA1CA2CA4CA9
SCHEMBL4834156 0.89 CA12 (0.40) CA12CA1CA2CA4CA9
SCHEMBL4843919 0.89 TRPA1 (0.41) TRPA1GHSRPTGS2
SCHEMBL4842258 0.88 CA12 (0.40) CA12CA1CA2CA4CA9
SCHEMBL4833757 0.88 CA12 (0.42) CA12CA1CA2CA4CA9
SCHEMBL4844870 0.87 MAPT (0.42) CA12CA1CA2CA4CA9
SCHEMBL4842910 0.85 TRPA1 (0.37) CA12CA1CA2CA9TRPA1

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 CA12 4875/4885CA1 4641/4885CA2 4221/4885

“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.