SCHEMBL14015334

SCHEMBL14015334

CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc([SH](=O)=O)cc21

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.62
CA1 P00915 3/20 0.62
CA12 O43570 1/20 0.62
CA3 P07451 1/20 0.62
AR P10275 1/20 0.62
CA4 P22748 1/20 0.62
CA6 P23280 1/20 0.62
CA5A P35218 1/20 0.62
CA7 P43166 1/20 0.62
CA9 Q16790 1/20 0.62
CA13 Q8N1Q1 1/20 0.62
CA14 Q9ULX7 1/20 0.62
CA5B Q9Y2D0 1/20 0.62
LMNA P02545 1/20 0.62
TSHR P16473 1/20 0.62

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
SCHEMBL6728246 0.82 CA2 (0.67) CA2CA1CA12CA3AR
SCHEMBL12315851 0.82 CA2 (0.67) CA2CA1CA12CA3AR
SCHEMBL12315850 0.82 CA2 (0.67) CA2CA1CA12CA3AR
SCHEMBL13074131 0.81 CA2 (0.65) CA2CA1CA12CA3AR
SCHEMBL13852720 0.78 CA2 (0.80) CA2CA1CA12CA3AR
SCHEMBL13852712 0.78 CA2 (0.80) CA2CA1CA12CA3AR
SCHEMBL13852721 0.77 CA2 (0.78) CA2CA1CA12CA3AR
Dorzolamide SCHEMBL3306381 0.77 CA2 (1.00) CA2CA1CA12CA3AR
Dorzolamide SCHEMBL4455530 0.77 CA2 (1.00) CA2CA1CA12CA3AR
Dorzolamide SCHEMBL12223216 0.77 CA2 (1.00) CA2CA1CA12CA3AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9481686-B2 Process for preparing enantiomerically enriched oxamides ZACH SYSTEM S.P.A. (IT) 2016-11-01 US disclosed
WO-2011101704-A1 PROCESS FOR PREPARING (4S, 6S)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO-[2,3-B]THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE AND ITS INTERMEDIATES MICRO LABS LIMITED (IN) 2011-08-25 WO disclosed
WO-2008135770-A2 PROCESS FOR PREPARING DORZOLAM IDE CIPLA LIMITED (IN) 2008-11-13 WO disclosed