SCHEMBL6662759

SCHEMBL6662759

CO[C@@H](CS(=O)(=O)Cc1cnc2ccccc2c1)[C@H](C)N(C=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
PDE10A Q9Y233 9/20 0.34
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPM5 Q9NZQ8 1/20 0.33
ALPL P05186 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
CNR2 P34972 1/20 0.32
MMP2 P08253 1/20 0.32
MMP13 P45452 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
SCHEMBL6077244 0.87 HIF1A (0.36) HIF1AEPAS1PDE10ACYP1A2KDM4E
SCHEMBL6990550 0.85 HIF1A (0.38) HIF1AEPAS1PDE10ACYP1A2KDM4E
SCHEMBL6399798 0.84 HIF1A (0.37) HIF1AEPAS1PDE10ACYP1A2KDM4E
SCHEMBL6606815 0.84 PDE10A (0.36) HIF1AEPAS1PDE10ACYP1A2KDM4E
SCHEMBL6607311 0.84 HIF1A (0.36) HIF1AEPAS1PDE10ACYP1A2KDM4E
SCHEMBL6661883 0.83 PDE10A (0.35) HIF1AEPAS1PDE10AKDM4EKMT2A
SCHEMBL6606605 0.83 HPGD (0.38) HIF1AEPAS1PDE10ACYP1A2KDM4E
SCHEMBL6399028 0.82 HIF1A (0.35) HIF1AEPAS1PDE10ACYP1A2KDM4E
SCHEMBL6985491 0.82 HIF1A (0.36) HIF1AEPAS1PDE10ACYP1A2KDM4E
SCHEMBL6982449 0.80 HIF1A (0.35) HIF1AEPAS1PDE10ACYP1A2KDM4E

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-1448529-A1 SULFONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AND ALLERGIES SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
WO-2003045922-A1 SULFONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AND ALLERGIES SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-05 WO disclosed