SCHEMBL3969355

SCHEMBL3969355

COC(=O)c1ccc(NC(=O)C[n+]2csc(CCO)c2C)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
EGFR P00533 1/20 0.41
TKT P29401 6/20 0.39
EPHX2 P34913 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP3 P42574 1/20 0.37

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
Bromide SCHEMBL3847775 0.99 SMN1; SMN2 (0.46) SMN1; SMN2EGFRTKTEPHX2CA12
Bromide SCHEMBL3845669 0.77 TSHR (0.50) SMN1; SMN2MAPK1CASP3RAB9ASENP7
Bromide SCHEMBL3845343 0.72 SMN1; SMN2 (0.50) SMN1; SMN2EGFREPHX2CA12CA1
SCHEMBL3965750 0.69 SMN1; SMN2 (0.47) SMN1; SMN2TKTKMT2A
SCHEMBL2129381 0.69 SMN1; SMN2 (0.66) SMN1; SMN2EGFREPHX2CA12CA1
Bromide SCHEMBL4114678 0.68 SMN1; SMN2 (0.46) SMN1; SMN2EGFREPHX2CA12CA1
SCHEMBL3633228 0.68 SMN1; SMN2 (0.64) SMN1; SMN2EGFREPHX2CA12CA1
SCHEMBL5015373 0.67 TKT (0.51) TKT
SCHEMBL2127575 0.66 SMN1; SMN2 (1.00) SMN1; SMN2EGFREPHX2CA12CA1
SCHEMBL613429 0.66 SMN1; SMN2 (0.76) SMN1; SMN2EGFREPHX2CA12CA1

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
EP-0808163-B1 USE OF THIAZOLIUM COMPOUNDS FOR PREVENTING AND REVERSING THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS ALTEON INC (US) 2003-07-23 EP claimed
US-6440749-B1 ADMINISTERING A THIAZOLE COMPOUND ALTEON. INC. 2002-08-27 US claimed
WO-2009042213-A1 METHODS OF TREATING OR PREVENTING CARDIAC DISEASE ASSOCIATED WITH A HIGH FAT DIET SYNVISTA THERAPEUTICS, INC. (US) 2009-04-02 WO disclosed
WO-2009023207-A1 THIAZOLIUM COMPOUNDS FOR TREATING GASTROINTESTINAL COMPLICATIONS SYNVISTA THERAPEUTICS, INC. (US) 2009-02-19 WO disclosed
EP-0808163-A2 USE OF THIAZOLIUM COMPOUNDS FOR PREVENTING AND REVERSING THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS ALTEON, INC. (US) 1997-11-26 EP disclosed
WO-1996022095-A2 USE OF THIAZOLIUM COMPOUNDS FOR PREVENTING AND REVERSING THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS ALTEON INC. (US) 1996-07-25 WO disclosed