SCHEMBL3288114

SCHEMBL3288114

COc1cc(OC)c(C(=O)N[C@@H]2[C@@H](c3ccc(S(N)(=O)=O)cc3)C2(C)C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.43
CA2 P00918 7/20 0.43
CA12 O43570 4/20 0.43
CA7 P43166 2/20 0.43
CA14 Q9ULX7 2/20 0.43
NLRP3 Q96P20 1/20 0.41
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.38
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
CA9 Q16790 5/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL3288119 1.00 CA1 (0.43) CA1CA2CA12CA7CA14
SCHEMBL3288111 1.00 CA1 (0.43) CA1CA2CA12CA7CA14
SCHEMBL3288170 0.93 CA2 (0.45) CA1CA2CA12CA7CA14
SCHEMBL3288173 0.93 CA2 (0.45) CA1CA2CA12CA7CA14
SCHEMBL3288180 0.93 CA2 (0.45) CA1CA2CA12CA7CA14
SCHEMBL3286462 0.89 CA1 (0.47) CA1CA2CA12CA7CA14
SCHEMBL3286464 0.89 CA1 (0.47) CA1CA2CA12CA7CA14
SCHEMBL3286469 0.89 CA1 (0.47) CA1CA2CA12CA7CA14
SCHEMBL3287730 0.89 CA1 (0.47) CA1CA2CA12CA7CA14
SCHEMBL3295479 0.88 CA1 (0.43) 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 7 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
EP-2207540-A1 CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2010-07-21 EP claimed
US-7723391-B2 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-05-25 US claimed
WO-2009043784-A1 CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-04-09 WO 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.