SCHEMBL4039241

SCHEMBL4039241

Nc1ncccc1CNC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2ccc(F)cc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.46
TRPA1 O75762 13/20 0.43
PKM P14618 1/20 0.41
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL4033474 0.90 PKM (0.44) P2RX7TRPA1PKMATMLMNA
SCHEMBL4039505 0.88 TRPA1 (0.43) P2RX7TRPA1PKM
SCHEMBL3890621 0.83 PKM (0.40) P2RX7TRPA1PKMATMLMNA
SCHEMBL4841061 0.82 ATM (0.45) TRPA1PKMATMLMNATP53
SCHEMBL4841036 0.82 ALDH1A1 (0.42) TRPA1LMNA
SCHEMBL4833963 0.82 ALDH1A1 (0.42) TRPA1LMNA
SCHEMBL3840569 0.81 TRPA1 (0.44) P2RX7TRPA1
SCHEMBL4035782 0.81 PKM (0.39) P2RX7TRPA1PKMATMLMNA
SCHEMBL3820156 0.81 LMNA (0.43) TRPA1PKMATMLMNATP53
SCHEMBL4842641 0.81 GNRHR (0.39) P2RX7TRPA1PKMATMLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885695-B1 INDOLINE COMPOUNDS FOURNIER LAB SA (FR) 2009-02-25 EP disclosed
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 P2RX7 908/4885TRPA1 368/4885PKM 1415/4885

“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.