SCHEMBL3287446

SCHEMBL3287446

COc1ccc(C(=O)N[C@H]2[C@H](c3ccc(S(N)(=O)=O)cc3)C2(C)C)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.50
CA2 P00918 5/20 0.50
CA7 P43166 4/20 0.50
CA9 Q16790 3/20 0.50
CA12 O43570 4/20 0.46
ALDH1A1 P00352 4/20 0.46
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
MAPT P10636 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.43
CA4 P22748 2/20 0.42
MAOB P27338 1/20 0.42
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL3293773 1.00 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL3293769 1.00 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL3287453 1.00 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL3292412 0.92 CA2 (0.48) CA1CA2CA7CA9CA12
SCHEMBL3292415 0.92 CA2 (0.48) CA1CA2CA7CA9CA12
SCHEMBL3292424 0.92 CA2 (0.48) CA1CA2CA7CA9CA12
SCHEMBL3287358 0.91 NPC1 (0.44) CA1CA2CA7CA9ALDH1A1
SCHEMBL3287355 0.91 NPC1 (0.44) CA1CA2CA7CA9ALDH1A1
SCHEMBL3287363 0.91 NPC1 (0.44) CA1CA2CA7CA9ALDH1A1
SCHEMBL3293133 0.90 FLT1 (0.53) CA1CA2CA7CA9CA12

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 CA1 3991/4885CA2 2746/4885CA7 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.