SCHEMBL7320647

SCHEMBL7320647

Cc1ccc(S(=O)(=O)N(C(=O)[C@H]2NC(C)(C)CS2)[C@@H](Cc2ccc(NC(=O)CN(C)C)cc2)C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.39
LMNA P02545 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 5/20 0.38
RORC P51449 3/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.35
MMP9 P14780 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
SCHEMBL7319356 0.91 CA1 (0.37) THRBLMNAKDM4EMAPTRORC
SCHEMBL6712429 0.90 LMNA (0.40) LMNAMAPTTP53POLBKMT2A
SCHEMBL7322285 0.90 MAPT (0.36) THRBLMNAKDM4EHSD17B10MAPT
SCHEMBL7421577 0.88 MMP9 (0.37) THRBLMNAMAPTTP53POLB
SCHEMBL6712491 0.87 MMP9 (0.48) THRBLMNAMAPTKMT2AMEN1
SCHEMBL7189352 0.85 MMP9 (0.42) LMNAKDM4EHSD17B10MAPTKMT2A
SCHEMBL5690666 0.85 MAPT (0.37) LMNAMAPTTP53POLBKMT2A
SCHEMBL7538007 0.85 MMP9 (0.46) THRBLMNAMAPTKMT2AMEN1
SCHEMBL7449470 0.84 ITGB1 (0.48) L3MBTL1MAPK1
SCHEMBL6709350 0.83 ALDH1A1 (0.46) MAPTPOLBKMT2AMEN1SMN1; SMN2

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