SCHEMBL3288180

SCHEMBL3288180

COc1cc(OC)c(C(=O)N[C@H]2[C@H](c3ccc(S(N)(=O)=O)cc3)C2(C)C)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.45
CA1 P00915 6/20 0.45
CA7 P43166 3/20 0.45
CA14 Q9ULX7 3/20 0.45
CA12 O43570 3/20 0.45
NLRP3 Q96P20 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 2/20 0.42
CA9 Q16790 4/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL3288170 1.00 CA2 (0.45) CA2CA1CA7CA14CA12
SCHEMBL3288173 1.00 CA2 (0.45) CA2CA1CA7CA14CA12
SCHEMBL3288119 0.93 CA1 (0.43) CA2CA1CA7CA14CA12
SCHEMBL3288111 0.93 CA1 (0.43) CA2CA1CA7CA14CA12
SCHEMBL3288114 0.93 CA1 (0.43) CA2CA1CA7CA14CA12
SCHEMBL3287730 0.92 CA1 (0.47) CA2CA1CA7CA14CA12
SCHEMBL3286464 0.92 CA1 (0.47) CA2CA1CA7CA14CA12
SCHEMBL3286462 0.92 CA1 (0.47) CA2CA1CA7CA14CA12
SCHEMBL3286469 0.92 CA1 (0.47) CA2CA1CA7CA14CA12
SCHEMBL3287684 0.88 CA1 (0.60) CA2CA1CA7CA14CA12

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
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-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
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 CA2 2746/4885CA1 3991/4885CA7 2892/4885

“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.