SCHEMBL7604015

SCHEMBL7604015

N=S(=O)(CC(CCC(=O)O)C(=O)O)c1ccnc(-c2ccncc2)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.34
MMP13 P45452 3/20 0.34
ADAMTS4 O75173 2/20 0.34
MMP9 P14780 2/20 0.34
MMP8 P22894 1/20 0.34
KAT6A Q92794 1/20 0.34
FFAR1 O14842 1/20 0.33
P2RY12 Q9H244 1/20 0.31
MMP2 P08253 1/20 0.31
FOLH1 Q04609 3/20 0.31
LOXL2 Q9Y4K0 1/20 0.30
MMP12 P39900 1/20 0.30

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
SCHEMBL1374875 0.75 MMP1 (0.44) CPA3MMP13ADAMTS4MMP9MMP8
SCHEMBL1376096 0.67 CPA3 (0.41) CPA3MMP13ADAMTS4MMP9MMP8
SCHEMBL1377052 0.63 CPA3 (0.56) CPA3MMP13ADAMTS4MMP9MMP8
SCHEMBL7049730 0.62 CPA3 (0.44) CPA3FOLH1
SCHEMBL18857497 0.61 BCHE (0.49) CPA3FOLH1
SCHEMBL1759899 0.60 KMO (0.61) LOXL2
SCHEMBL28925073 0.59 FOLH1 (0.56) CPA3FOLH1
SCHEMBL28925074 0.59 FOLH1 (0.56) CPA3FOLH1
SCHEMBL7433478 0.59 PDGFRB (0.44)
SCHEMBL5054299 0.59 FOLH1 (0.54) FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002514185-A 2002-05-14 JP claimed
JP-2001521512-A 2001-11-06 JP claimed
EP-1019369-A1 THIO DERIVATIVES AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2000-07-19 EP claimed
EP-0949922-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-10-20 EP claimed
WO-1998045257-A1 THIO DERIVATIVES AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-10-15 WO claimed
WO-1998013044-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO claimed
EP-1019369-A1 THIO DERIVATIVES AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2000-07-19 EP disclosed
WO-1998045257-A1 THIO DERIVATIVES AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-10-15 WO disclosed