SCHEMBL1939429

SCHEMBL1939429

COC(OC)c1ccccc1S(N)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.47
CA1 P00915 10/20 0.47
CA9 Q16790 10/20 0.47
CA5A P35218 3/20 0.47
CA12 O43570 6/20 0.45
CA6 P23280 3/20 0.45
CA4 P22748 2/20 0.45
CA7 P43166 2/20 0.45
CA5B Q9Y2D0 2/20 0.45
CYP2C9 P11712 1/20 0.45
CA14 Q9ULX7 1/20 0.45
ACHE P22303 1/20 0.45
LDHA P00338 1/20 0.36
CDK2 P24941 1/20 0.36
PTGES2 Q9H7Z7 2/20 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
SCHEMBL3564480 0.79 CA1 (0.42) CA2CA1CA9CA5ACA12
SCHEMBL1106519 0.78 CA1 (0.53) CA2CA1CA9CA5ACA12
SCHEMBL30593603 0.78 CA1 (0.53) CA2CA1CA9CA5ACA12
Potassium SCHEMBL9493381 0.76 CA1 (0.51) CA2CA1CA9CA5ACA12
SCHEMBL731096 0.76 CA2 (0.48) CA2CA1CA9CA5ACA12
SCHEMBL9493369 0.76 CA1 (0.51) CA2CA1CA9CA5ACA12
SCHEMBL3284628 0.74 HTR2A (0.48) CA2CA1CA9CA5ACA12
SCHEMBL10641489 0.74 CA2 (0.47) CA2CA1CA9CA5ACA12
SCHEMBL28360228 0.74 CA2 (0.52) CA2CA1CA9CA5ACA12
SCHEMBL8428528 0.74 CA2 (0.47) CA2CA1CA9CA5ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106963514-A Urinary device 科洛普拉斯特公司 2017-07-21 CN disclosed
CN-103282073-B Urinary device 科洛普拉斯特公司 2017-04-26 CN disclosed
EP-3013347-A1 GLYCAN CONJUGATES AND USE THEREOF Academia Sinica (TW) 2016-05-04 EP disclosed
WO-2014210564-A1 GLYCAN CONJUGATES AND USE THEREOF ACADEMIA SINICA (TW) 2014-12-31 WO disclosed
EP-2331018-A1 ESOPHAGEAL VALVE Vysera Biomedical Limited (IE) 2011-06-15 EP disclosed
WO-2009153770-A1 ESOPHAGEAL VALVE VYSERA BIOMEDICAL LIMITED (IE) 2009-12-23 WO disclosed