SCHEMBL6328423

SCHEMBL6328423

C[C@@H](C(=O)NS(=O)(=O)CCNC(=O)OCc1ccccc1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLI1 P08151 1/20 0.52
GLI2 P10070 1/20 0.52
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
MEN1 O00255 1/20 0.44
CYP2D6 P10635 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSS P25774 2/20 0.44
CTSK P43235 1/20 0.44
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MMP13 P45452 1/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 1/20 0.42
PSMB5 P28074 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL6332320 0.86 GLI1 (0.53) GLI1GLI2PTGS1PTGS2TRPV1
SCHEMBL27568086 0.86 PTGS1 (0.49) GLI1GLI2PTGS1PTGS2TRPV1
SCHEMBL7154919 0.86 PTGS1 (0.49) GLI1GLI2PTGS1PTGS2TRPV1
SCHEMBL6320504 0.81 CXCR1 (0.53) PTGS2TRPV1LMNASMN1; SMN2CA1
SCHEMBL6329742 0.80 PTGS1 (0.56) GLI1GLI2PTGS1PTGS2TRPV1
SCHEMBL27550082 0.80 PTGS1 (0.56) GLI1GLI2PTGS1PTGS2TRPV1
SCHEMBL15486227 0.80 PTGS1 (0.62) GLI1GLI2PTGS1PTGS2TRPV1
SCHEMBL12608944 0.77 GLI1 (0.64) GLI1GLI2PTGS1PTGS2TRPV1
SCHEMBL27705424 0.75 GLI1 (0.44) GLI1GLI2PTGS1PTGS2TRPV1
SCHEMBL11533548 0.74 GLI1 (0.81) GLI1GLI2PTGS1PTGS2TRPV1

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-6887903-B1 N-(2-aryl-propionyl)-sulfonamides and pharmaceutical preparations containing them DOMPE S.P.A. (IT) 2005-05-03 US disclosed
US-6881755-B2 N-(2-aryl-propionyl)-sulfonamides and pharmaceutical preparations containing them Dompé S.p.A. (IT) 2005-04-19 US disclosed
EP-1123276-B1 N-(2-ARYL-PROPIONYL)-SULFONAMIDES AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM DOMPE SPA (IT) 2003-01-08 EP disclosed