SCHEMBL4841989

SCHEMBL4841989

COc1cccc2c1CC(C(=O)NCCOc1ccc(C(=O)O)cc1)N2S(=O)(=O)c1ccc(-c2ccc(F)cc2Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.37
SRD5A2 P31213 1/20 0.36
GNRHR P30968 1/20 0.36
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
FAAH O00519 1/20 0.35
DRD3 P35462 1/20 0.35
MAPT P10636 2/20 0.34
ERAP1 Q9NZ08 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FFAR4 Q5NUL3 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
SCHEMBL4833601 0.93 CA12 (0.40) TRPA1ALDH1A1RAB9ACA12CA1
SCHEMBL4842910 0.92 TRPA1 (0.37) TRPA1GNRHRALDH1A1RAB9ACA12
SCHEMBL4842551 0.91 ALDH1A1 (0.41) TRPA1ALDH1A1RAB9ADRD3MAPT
SCHEMBL4841601 0.91 TRPA1 (0.39) TRPA1ALDH1A1RAB9ACA12CA1
SCHEMBL4842180 0.89 PKM (0.40) TRPA1ALDH1A1TP53PKMKMT2A
SCHEMBL4842689 0.88 MMP8 (0.39) TRPA1SRD5A2GNRHRALDH1A1CA12
SCHEMBL4844870 0.86 MAPT (0.42) TRPA1GNRHRALDH1A1CA12CA1
SCHEMBL4843678 0.85 TRPA1 (0.38) TRPA1ALDH1A1RAB9ACA12CA1
SCHEMBL4842652 0.83 TRPA1 (0.38) TRPA1ALDH1A1RAB9ACA12CA1
SCHEMBL4839140 0.83 ALDH1A1 (0.39) TRPA1ALDH1A1RAB9ACA12CA1

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 368/4885SRD5A2 1787/4885GNRHR 2528/4885

“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.