SCHEMBL5219425

SCHEMBL5219425

CCC[C@H](NC(=O)[C@@H](O)c1ccccc1)C(=O)Nc1nc(C(=O)O)c(C(C)C)s1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.58
PSEN2 P49810 11/20 0.58
APH1B Q8WW43 11/20 0.58
NCSTN Q92542 11/20 0.58
APH1A Q96BI3 11/20 0.58
PSENEN Q9NZ42 11/20 0.58
MME P08473 1/20 0.42
GLS O94925 4/20 0.40
RORC P51449 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5219070 1.00 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3105326 0.91 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3083700 0.91 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5223136 0.89 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5221560 0.87 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5217299 0.84 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5223888 0.83 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5217189 0.82 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5220786 0.82 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5218907 0.82 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A

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
EP-1525193-B1 ACYLAMINOTHIAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-12-26 EP disclosed
EP-1525193-A2 ACYLAMINOTHIAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-04-27 EP disclosed
WO-2004009565-A2 ACYLAMINOTHIAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2004-01-29 WO disclosed