SCHEMBL2236307

SCHEMBL2236307

NC(=O)N(c1ccc(CCC(=O)O)cc1)c1ccc(OS(N)(=O)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.49
CA1 P00915 4/20 0.49
STS P08842 7/20 0.46
FFAR1 O14842 7/20 0.46
CA9 Q16790 4/20 0.43
CA12 O43570 3/20 0.43
FFAR4 Q5NUL3 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL14717579 0.88 STS (0.43) CA2CA1STSFFAR1CA9
SCHEMBL14717026 0.82 STS (0.43) CA2CA1STSCA9CA12
SCHEMBL2237810 0.82 STS (0.57) CA2CA1STSCA9CA12
SCHEMBL6136347 0.80 FFAR1 (0.59) CA2CA1FFAR1FFAR4
SCHEMBL14716778 0.78 CA2 (0.64) CA2CA1STSCA9CA12
SCHEMBL2237037 0.78 CA2 (0.68) CA2CA1STSCA9CA12
SCHEMBL2234949 0.78 CA2 (0.68) CA2CA1STSCA9CA12
SCHEMBL2239304 0.77 CA2 (0.66) CA2CA1STSCA9CA12
SCHEMBL2236615 0.77 CA2 (0.66) CA2CA1STSCA9CA12
SCHEMBL2235949 0.77 CA2 (0.66) CA2CA1STSCA9CA12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533775-A1 CARBONIC ANHYDRASE INHIBITORS Universita' Degli Studi di Firenze (IT) 2012-12-19 EP disclosed
WO-2011098610-A1 CARBONIC ANHYDRASE INHIBITORS UNIVERSITA DEGLI STUDI DI FIRENZE (IT) 2011-08-18 WO disclosed