SCHEMBL5572773

SCHEMBL5572773

Cc1ccc(S(=O)(=O)N(C(=O)[C@@H]2Cc3ccccc3N2)[C@@H](Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
ADAMTS5 Q9UNA0 2/20 0.42
TAS2R14 Q9NYV8 2/20 0.38
CNR2 P34972 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MMP9 P14780 1/20 0.37
KMT2A Q03164 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
THRB P10828 2/20 0.36
VIPR2 P41587 1/20 0.36
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
SCHEMBL5569747 0.90 LMNA (0.39) GAAMAPTADAMTS5TAS2R14CNR2
SCHEMBL7069746 0.83 ADAMTS5 (0.46) GAAMAPTADAMTS5TAS2R14CNR2
SCHEMBL7069483 0.77 NPSR1 (0.41) GAAMAPTADAMTS5TAS2R14CNR2
SCHEMBL5569712 0.77 LMNA (0.39) GAAMAPTTAS2R14CNR2KMT2A
SCHEMBL7069676 0.75 ADAMTS5 (0.43) GAAMAPTADAMTS5TAS2R14CNR2
SCHEMBL7071119 0.73 ADAMTS5 (0.43) GAAADAMTS5TAS2R14CNR2ALDH1A1
SCHEMBL5572776 0.72 MMP9 (0.48) GAAMAPTALDH1A1MMP9KMT2A
SCHEMBL5573300 0.72 ADAMTS5 (0.73) GAAMAPTADAMTS5TAS2R14CNR2
SCHEMBL5573297 0.72 ADAMTS5 (0.73) GAAMAPTADAMTS5TAS2R14CNR2
SCHEMBL3113689 0.72 CTSC (0.47) ADAMTS5MMP9KMT2A

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
US-20030166575-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN MA INC. 2003-09-04 US claimed
US-6559127-B1 Intercellular adhesion mediated by VLA-4 and other cell surface receptors is associated with a number of inflammatory responses ATHENA NEUROSCIENCES, INC. 2003-05-06 US claimed
EP-1001973-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP claimed
WO-1999006433-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed
US-7166580-B2 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-01-23 US disclosed
US-20030166575-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN MA INC. 2003-09-04 US disclosed
US-6559127-B1 Intercellular adhesion mediated by VLA-4 and other cell surface receptors is associated with a number of inflammatory responses ATHENA NEUROSCIENCES, INC. 2003-05-06 US disclosed
EP-1001973-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP disclosed
WO-1999006433-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030166575-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 GAA 1632/4885MAPT 816/4885ADAMTS5 1841/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.