SCHEMBL4422981

SCHEMBL4422981

Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](Cc2ccc(OC(=O)N3CCSC(=O)C3=O)cc2)C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ITGB1 P05556 3/20 0.37
ITGA4 P13612 3/20 0.37
GFER P55789 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.36
ITGB7 P26010 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4412738 0.91 P2RX7 (0.40) KMT2AMAPK1KDM4EGFERRAB9A
SCHEMBL3859709 0.85 ITGB1 (0.44) KMT2AMAPK1ALDH1A1ITGB1ITGA4
SCHEMBL4418816 0.82 ITGB1 (0.54) KMT2AMAPK1ALDH1A1KDM4EITGB1
SCHEMBL4551968 0.82 CYP2C9 (0.50) KMT2AMAPK1ALDH1A1KDM4EITGB1
SCHEMBL3858034 0.82 MAPK1 (0.48) KMT2AMAPK1KDM4ETDP1ITGB1
SCHEMBL3855486 0.81 ITGB1 (0.45) KMT2AMAPK1ALDH1A1ITGB1ITGA4
SCHEMBL5598082 0.80 ITGA4 (0.55) MAPK1ALDH1A1ITGB1ITGA4MAPT
SCHEMBL3851225 0.76 P2RX7 (0.46) KMT2AMAPK1GFERRAB9AMEN1
SCHEMBL3850947 0.76 ITGB3 (0.45) KMT2AMAPK1ALDH1A1TDP1ITGB1
SCHEMBL30699961 0.76 CA1 (0.54) KMT2AMAPK1KDM4ETDP1ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635822-A4 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARM INC (US) 2009-06-24 EP disclosed
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-1635822-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS Elan Pharmaceuticals, Inc. (US) 2006-03-22 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-2005000246-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 WO 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