Sugi Predict

Sugi Predict / Compounds / SCHEMBL4128533

SCHEMBL4128533

SCHEMBL4128533

COC(=O)CCS(=O)(=O)N1CC2(CCNCC2)c2ccccc2C1C1C2CC3CC(C2)CC1C3

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 4/20 0.34
▸ HSD11B2 P80365 1/20 0.34
▸ SMYD3 Q9H7B4 1/20 0.32
▸ NAE1 Q13564 1/20 0.32
▸ UBA3 Q8TBC4 1/20 0.32
▸ P2RY1 P47900 1/20 0.31

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
SCHEMBL4425222 0.78 HSD11B1 (0.32) HSD11B1HSD11B2
SCHEMBL4114112 0.78 HSD11B1 (0.44) HSD11B1HSD11B2
SCHEMBL4122052 0.78 HSD11B1 (0.35) HSD11B1HSD11B2
SCHEMBL4120245 0.73 HSD11B1 (0.43) HSD11B1HSD11B2
SCHEMBL4128536 0.69 HSD11B1 (0.39) HSD11B1HSD11B2
SCHEMBL4113273 0.68 HSD11B1 (0.40) HSD11B1HSD11B2
SCHEMBL4117101 0.67 HSD11B1 (0.42) HSD11B1HSD11B2
SCHEMBL8315002 0.66 NAE1 (0.39) NAE1UBA3
SCHEMBL4108958 0.66 HSD11B1 (0.47) HSD11B1HSD11B2
SCHEMBL4124959 0.66 HSD11B1 (0.39) HSD11B1HSD11B2P2RY1

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-2064187-A2 INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 Vitae Pharmaceuticals, Inc. (US) 2009-06-03 — — EP disclosed
WO-2008024497-A2 INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2008-02-28 — — WO disclosed