SCHEMBL5526468

SCHEMBL5526468

NS(=O)(=O)c1ccc2c(c1)C1C=CCC1C(c1ccc(F)cc1)N2

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.80
CA1 P00915 3/20 0.80
CA2 P00918 3/20 0.80
CA9 Q16790 3/20 0.80
CHRNA7 P36544 2/20 0.80
AR P10275 1/20 0.80
MAPT P10636 10/20 0.66
TP53 P04637 2/20 0.66
GAA P10253 4/20 0.65
MEN1 O00255 3/20 0.62
ALDH1A1 P00352 3/20 0.62
KMT2A Q03164 3/20 0.62
USP2 O75604 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
ALOX15 P16050 1/20 0.62
CASP1 P29466 1/20 0.62
GAPDH P04406 1/20 0.61
HSPA1A P0DMV8 1/20 0.61
PTPN7 P35236 1/20 0.61
KDM4E B2RXH2 1/20 0.58

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
SCHEMBL17464435 0.93 CA12 (0.87) CA12CA1CA2CA9CHRNA7
SCHEMBL17458837 0.93 CA12 (0.87) CA12CA1CA2CA9CHRNA7
SCHEMBL17458834 0.90 CA12 (0.82) CA12CA1CA2CA9CHRNA7
SCHEMBL17464643 0.90 CA12 (0.82) CA12CA1CA2CA9CHRNA7
SCHEMBL17458850 0.90 CA12 (0.82) CA12CA1CA2CA9CHRNA7
SCHEMBL17458835 0.90 CA12 (0.82) CA12CA1CA2CA9CHRNA7
SCHEMBL29518260 0.89 CHRNA7 (1.00) CA12CA1CA2CA9CHRNA7
SCHEMBL5517723 0.89 CA12 (0.80) CA12CA1CA2CA9CHRNA7
SCHEMBL5518372 0.89 CA12 (0.80) CA12CA1CA2CA9CHRNA7
SCHEMBL5518340 0.89 CA12 (0.80) CA12CA1CA2CA9CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179172-A1 Positive modulators of nicotinic acetylcholine receptors ASTRAZENECA AB (SE) 2007-08-02 US claimed
EP-1631288-A1 POSITIVE MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS AstraZeneca AB (SE) 2006-03-08 EP claimed
WO-2004098600-A1 POSITIVE MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS ASTRAZENECA AB (SE) 2004-11-18 WO claimed
US-20070179172-A1 Positive modulators of nicotinic acetylcholine receptors ASTRAZENECA AB (SE) 2007-08-02 US disclosed
US-20070179172-A1 Positive modulators of nicotinic acetylcholine receptors ASTRAZENECA AB (SE) 2007-08-02 US disclosed
US-20070179172-A1 Positive modulators of nicotinic acetylcholine receptors ASTRAZENECA AB (SE) 2007-08-02 US disclosed
EP-1631288-A1 POSITIVE MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS AstraZeneca AB (SE) 2006-03-08 EP disclosed
WO-2004098600-A1 POSITIVE MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS ASTRAZENECA AB (SE) 2004-11-18 WO 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-20070179172-A1 Positive modulators of nicotinic acetylcholine receptors CHRNA1, CHRNA2, CHRM1 CA12 2730/4885CA1 1912/4885CA2 1630/4885

“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.