Sugi Predict

Sugi Predict / Compounds / SCHEMBL17489593

SCHEMBL17489593

SCHEMBL17489593

CO[C@@H]1CC[C@H](C(=O)N(C)C)C[C@H]1NS(=O)(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.40
▸ CA14 Q9ULX7 4/20 0.40
▸ CA2 P00918 1/20 0.39
▸ CA1 P00915 2/20 0.33
▸ CA7 P43166 2/20 0.33
▸ BRS3 P32247 1/20 0.33
▸ BTK Q06187 1/20 0.32

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
SCHEMBL17437659 0.89 CA12 (0.36) CA12CA14CA2CA1CA7
SCHEMBL17437664 0.89 CA12 (0.36) CA12CA14CA2CA1CA7
SCHEMBL17437662 0.89 CA12 (0.36) CA12CA14CA2CA1CA7
SCHEMBL17449867 0.88 CA12 (0.40) CA12CA14CA2CA1CA7
SCHEMBL17437673 0.81 CYP3A4 (0.37) CA12CA14CA2CA1CA7
SCHEMBL17437671 0.81 CYP3A4 (0.37) CA12CA14CA2CA1CA7
SCHEMBL17437672 0.81 CYP3A4 (0.37) CA12CA14CA2CA1CA7
SCHEMBL10015600 0.76 BTK (0.39) BTK
SCHEMBL17472894 0.75 BTK (0.38) BTK
SCHEMBL17449869 0.74 BTK (0.39) BTK

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-2980067-B1 PROCESSES FOR PREPARING OPTICALLY ACTIVE DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2017-05-17 — — EP disclosed
EP-2980067-A1 PROCESSES FOR PREPARING OPTICALLY ACTIVE DIAMINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-02-03 — — EP disclosed