Sugi Predict

Sugi Predict / Compounds / SCHEMBL6553077

SCHEMBL6553077

SCHEMBL6553077

CC(=O)OOc1ccc(S(=O)(=O)c2ccc(CCNC(=O)OC(C)(C)C)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 14/20 0.46
▸ CA1 P00915 11/20 0.46
▸ CA12 O43570 5/20 0.45
▸ CA9 Q16790 5/20 0.45
▸ HTR2A P28223 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ NAMPT P43490 2/20 0.39
▸ GPR35 Q9HC97 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
SCHEMBL6552837 0.85 CA2 (0.48) CA2CA1CA12CA9HTR2A
SCHEMBL6554319 0.81 HTR2A (0.49) CA2CA1CA12CA9HTR2A
SCHEMBL6539934 0.77 CA2 (0.48) CA2CA1CA12CA9
SCHEMBL4275420 0.76 CA1 (0.48) CA2CA1CA12CA9NAMPT
SCHEMBL6540455 0.74 ALDH1A1 (0.50) CA2CA1CA12CA9HTR2A
SCHEMBL6554338 0.73 ADRB3 (0.53) —
SCHEMBL31748114 0.72 CA2 (0.63) CA2CA1CA12CA9NAMPT
SCHEMBL3634189 0.72 MEN1 (0.52) CA2CA1NAMPT
SCHEMBL3634801 0.72 MAPT (0.48) CA2CA1NAMPT
SCHEMBL4434314 0.71 CA1 (0.47) CA2CA1CA12CA9NAMPT

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-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 — — EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 — — WO disclosed