SCHEMBL3286447

SCHEMBL3286447

COc1ccccc1C(=O)NC1C(c2ccc(S(N)(=O)=O)cc2)C1(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.53
CA2 P00918 7/20 0.53
CA9 Q16790 5/20 0.53
CA12 O43570 4/20 0.50
CA7 P43166 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CTSD P07339 1/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.42
KAT6A Q92794 1/20 0.42

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
SCHEMBL3286458 1.00 CA1 (0.53) CA1CA2CA9CA12CA7
SCHEMBL3286450 1.00 CA1 (0.53) CA1CA2CA9CA12CA7
SCHEMBL3288000 0.90 NPC1 (0.44) CA1CA2CA9CA12CA7
SCHEMBL3288008 0.90 NPC1 (0.44) CA1CA2CA9CA12CA7
SCHEMBL3288002 0.90 NPC1 (0.44) CA1CA2CA9CA12CA7
SCHEMBL3295485 0.88 CA1 (0.43) CA1CA2CA9CA12CA7
SCHEMBL3295481 0.88 CA1 (0.43) CA1CA2CA9CA12CA7
SCHEMBL3295479 0.88 CA1 (0.43) CA1CA2CA9CA12CA7
SCHEMBL3290085 0.88 LMNA (0.44) CA1CA2CA9CA12ALDH1A1
SCHEMBL3290088 0.88 LMNA (0.44) CA1CA2CA9CA12ALDH1A1

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 2746/4885CA9 3364/4885

“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.