SCHEMBL3290549

SCHEMBL3290549

CNS(=O)(=O)c1ccc([C@@H]2[C@H](NC(=O)c3cc(Cl)ccc3OC)C2(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.58
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA12 O43570 1/20 0.49
CA7 P43166 1/20 0.49
CA14 Q9ULX7 1/20 0.49
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
ABCC3 O15438 1/20 0.45
ABCC4 O15439 1/20 0.45
ABCC9 O60706 1/20 0.45
ABCB11 O95342 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL3290540 1.00 NLRP3 (0.58) NLRP3CA1CA2CA12CA7
SCHEMBL3286793 0.90 CA1 (0.51) NLRP3CA1CA2CA12CA7
SCHEMBL3292574 0.90 CA1 (0.51) NLRP3CA1CA2CA12CA7
SCHEMBL3286784 0.90 CA1 (0.51) NLRP3CA1CA2CA12CA7
SCHEMBL3286787 0.90 CA1 (0.51) NLRP3CA1CA2CA12CA7
SCHEMBL3286957 0.89 NLRP3 (0.46) NLRP3CA1CA2CA12CA7
SCHEMBL3286951 0.89 NLRP3 (0.46) NLRP3CA1CA2CA12CA7
SCHEMBL3287692 0.89 CA1 (0.60) NLRP3CA1CA2CA12CA7
SCHEMBL3287764 0.89 CA1 (0.60) NLRP3CA1CA2CA12CA7
SCHEMBL3287684 0.89 CA1 (0.60) NLRP3CA1CA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2207540-B1 CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2014-02-26 EP claimed
US-7723391-B2 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-05-25 US claimed
US-7723391-B2 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-05-25 US disclosed
US-20090093525-A1 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 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-20090093525-A1 Cyclopropyl aryl amide derivatives and uses thereof AR, ADRA2A, ADRA1A NLRP3 2534/4885CA1 3991/4885CA2 2746/4885

“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.