SCHEMBL5226068

SCHEMBL5226068

CC(C)(C)OC(=O)Nc1ccc2sc(COC(=O)O)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.52
ACSS2 Q9NR19 1/20 0.46
ALOX5 P09917 1/20 0.43
EPHX2 P34913 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
TOP2A P11388 1/20 0.42
TOP2B Q02880 1/20 0.42

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
SCHEMBL5226064 0.92 TRPV1 (0.55) TRPV1ACSS2CYP1A2CYP2C19
SCHEMBL14554346 0.80 TRPV1 (0.62) TRPV1
SCHEMBL5229881 0.76 CYP17A1 (0.35) CYP1A2CYP2C19TOP2ATOP2B
SCHEMBL5128887 0.74 TRPV1 (0.43) TRPV1ACSS2
SCHEMBL4940739 0.73 CYP1A2 (0.49) CYP1A2CYP2C19
SCHEMBL21954259 0.72 DYRK1A (0.49) TRPV1
SCHEMBL30466627 0.72 DYRK1A (0.49) TRPV1
SCHEMBL5126037 0.72 TRPV1 (0.77) TRPV1
SCHEMBL5201077 0.72 CA12 (0.42) ACSS2
SCHEMBL1848638 0.71 TRPV1 (0.52) TRPV1

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-1799661-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES AstraZeneca AB (SE) 2007-06-27 EP claimed
WO-2006038871-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES ASTRAZENECA AB (SE) 2006-04-13 WO claimed
EP-1799661-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES AstraZeneca AB (SE) 2007-06-27 EP disclosed
WO-2006038871-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES ASTRAZENECA AB (SE) 2006-04-13 WO disclosed
EP-1622884-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). AstraZeneca AB (SE) 2006-02-08 EP disclosed
WO-2004096784-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). ASTRAZENECA AB (SE) 2004-11-11 WO disclosed