SCHEMBL3287684

SCHEMBL3287684

COc1ccc(Cl)cc1C(=O)NC1C(c2ccc(S(N)(=O)=O)cc2)C1(C)C

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA12 O43570 1/20 0.60
CA7 P43166 1/20 0.60
CA14 Q9ULX7 1/20 0.60
NLRP3 Q96P20 3/20 0.58
RAB9A P51151 1/20 0.46
KCNMA1 Q12791 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL3287686 1.00 CA1 (0.60) CA1CA2CA12CA7CA14
SCHEMBL30065675 1.00 CA1 (0.60) CA1CA2CA12CA7CA14
SCHEMBL3287766 1.00 CA1 (0.60) CA1CA2CA12CA7CA14
SCHEMBL13866065 1.00 CA1 (0.60) CA1CA2CA12CA7CA14
SCHEMBL3287764 1.00 CA1 (0.60) CA1CA2CA12CA7CA14
SCHEMBL3287692 1.00 CA1 (0.60) CA1CA2CA12CA7CA14
SCHEMBL3293132 0.92 FLT1 (0.53) CA1CA2CA12CA7CA14
SCHEMBL3293133 0.92 FLT1 (0.53) CA1CA2CA12CA7CA14
SCHEMBL3293141 0.92 FLT1 (0.53) CA1CA2CA12CA7CA14
SCHEMBL3292574 0.91 CA1 (0.51) CA1CA2CA12CA7CA14

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 5 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
EP-2207540-B1 CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2014-02-26 EP disclosed
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 CA1 3991/4885CA2 2746/4885CA12 3825/4885

“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.