SCHEMBL7320767

SCHEMBL7320767

Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](Cc2ccc(C#CCOc3ccccc3)cc2)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.48
MMP9 P14780 5/20 0.48
ADAM17 P78536 5/20 0.48
MMP13 P45452 4/20 0.48
MMP1 P03956 3/20 0.48
MMP7 P09237 1/20 0.48
MMP8 P22894 1/20 0.48
MMP3 P08254 1/20 0.45
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ITGB1 P05556 3/20 0.42
ITGA4 P13612 3/20 0.42
POLB P06746 1/20 0.42
IL2 P60568 1/20 0.41
RAB9A P51151 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
SCHEMBL7320770 1.00 MMP2 (0.48) MMP2MMP9ADAM17MMP13MMP1
SCHEMBL7325742 0.90 MAPK1 (0.46) MMP2MMP9ADAM17MMP13MMP1
SCHEMBL7325748 0.90 MAPK1 (0.46) MMP2MMP9ADAM17MMP13MMP1
SCHEMBL7325796 0.90 MAPK1 (0.48) MMP2MMP9ADAM17MMP13MMP1
SCHEMBL7325803 0.90 MAPK1 (0.48) MMP2MMP9ADAM17MMP13MMP1
SCHEMBL7327806 0.84 MMP2 (0.45) MMP2MMP9MMP13MMP3MAPK1
SCHEMBL7327808 0.84 MMP2 (0.45) MMP2MMP9MMP13MMP3MAPK1
SCHEMBL7316305 0.84 MMP13 (0.48) MMP2MMP9MMP13MMP3MAPK1
SCHEMBL7316300 0.84 MMP13 (0.48) MMP2MMP9MMP13MMP3MAPK1
SCHEMBL5572753 0.84 SMN1; SMN2 (0.55) MMP9MAPK1KMT2ASMN1; SMN2ITGB1

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 6 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
EP-1001972-A1 SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP disclosed
WO-1999006431-A1 SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed