SCHEMBL7319084

SCHEMBL7319084

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
STAT3 P40763 2/20 0.49
STAT1 P42224 1/20 0.49
STAT5B P51692 1/20 0.49
CA2 P00918 7/20 0.47
CA1 P00915 3/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 1/20 0.45
ITGB1 P05556 1/20 0.45
ITGA4 P13612 1/20 0.45
POLB P06746 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL30699961 0.88 CA1 (0.54) TDP1CA2CA1CA12CA9
SCHEMBL5572753 0.88 SMN1; SMN2 (0.55) CA1CA12CA9MAPK1KMT2A
SCHEMBL5573302 0.87 KMT2A (0.47) TDP1CA2CA1CA12CA9
SCHEMBL5496683 0.85 LMNA (0.61) TDP1MAPK1KMT2AKDM4ELMNA
SCHEMBL5496678 0.85 LMNA (0.61) TDP1MAPK1KMT2AKDM4ELMNA
SCHEMBL5569684 0.84 STAT3 (0.50) TDP1STAT3MAPK1KMT2AKDM4E
SCHEMBL3858034 0.83 MAPK1 (0.48) TDP1CA2MAPK1KMT2AKDM4E
SCHEMBL7325748 0.80 MAPK1 (0.46) TDP1MAPK1KMT2AKDM4ELMNA
SCHEMBL7325742 0.80 MAPK1 (0.46) TDP1MAPK1KMT2AKDM4ELMNA
SCHEMBL7169342 0.80 TDP1 (0.51) TDP1MAPK1KMT2AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492421-B1 BINDING VERY LATE ANTIGEN-4; INFLAMMATORY DISEASES SUCH AS ASTHMA, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, AIDS, DEMENTIA, DIABETES, INFLAMMATORY BOWEL DISEASE, RHEUMATOID ARTHRITIS, TISSUE TRANSPLANTATION, TUMOR METASTASIS, MYOCARDIAL ISCHEMIA ATHENA NEUROSCIENCES, INC. 2002-12-10 US claimed
EP-1001972-A1 SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP claimed
WO-1999006431-A1 SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed
US-6492421-B1 BINDING VERY LATE ANTIGEN-4; INFLAMMATORY DISEASES SUCH AS ASTHMA, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, AIDS, DEMENTIA, DIABETES, INFLAMMATORY BOWEL DISEASE, RHEUMATOID ARTHRITIS, TISSUE TRANSPLANTATION, TUMOR METASTASIS, MYOCARDIAL ISCHEMIA ATHENA NEUROSCIENCES, INC. 2002-12-10 US disclosed