SCHEMBL4563268

SCHEMBL4563268

Cc1ccc(S(=O)(=O)N(C(=O)C2NCCSC2=O)[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)OC(C)C)cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.32
PTGES O14684 1/20 0.32
CNR2 P34972 1/20 0.32
KMT2A Q03164 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP14 P50281 1/20 0.31
POLB P06746 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
SCHEMBL5609005 0.90 P2RX7 (0.32) P2RX7PTGESPOLB
SCHEMBL3848811 0.82 P2RX7 (0.33) P2RX7PTGESCNR2KMT2A
SCHEMBL3877158 0.81 P2RX7 (0.32) P2RX7PTGESCNR2KMT2A
SCHEMBL3856836 0.81 P2RX7 (0.32) P2RX7PTGESCNR2KMT2A
SCHEMBL3853226 0.81 P2RX7 (0.33) P2RX7PTGESCNR2KMT2A
SCHEMBL3855348 0.80 MMP2 (0.33) P2RX7PTGESCNR2KMT2AMMP2
SCHEMBL7579993 0.79 P2RX7 (0.32) P2RX7PTGES
SCHEMBL4563644 0.79 PTGES (0.35) P2RX7PTGESCNR2KMT2A
SCHEMBL3850724 0.78 P2RX7 (0.33) P2RX7PTGES
SCHEMBL6038413 0.77 P2RX7 (0.32) P2RX7PTGES

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
EP-1592387-A4 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARM INC (US) 2009-05-06 EP disclosed
EP-1592386-A4 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARM INC (US) 2007-06-13 EP disclosed
EP-1592386-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS Elan Pharmaceuticals, Inc. (US) 2005-11-09 EP disclosed
EP-1592387-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS Elan Pharmaceuticals, Inc. (US) 2005-11-09 EP disclosed
WO-2004066932-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARMACEUTICALS INC. (US) 2004-08-12 WO disclosed
WO-2004066931-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARMACEUTICALS INC. (US) 2004-08-12 WO disclosed
EP-1000051-A1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-17 EP disclosed
WO-1999006390-A1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed