SCHEMBL5572403

SCHEMBL5572403

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 1/20 0.56
CA1 P00915 2/20 0.52
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
ALDH1A1 P00352 1/20 0.51
ITGB1 P05556 2/20 0.50
ITGA4 P13612 2/20 0.50
MMP9 P14780 1/20 0.48
MME P08473 1/20 0.48
CA2 P00918 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL5572404 1.00 ADAMTS5 (0.56) ADAMTS5CA1CA12CA9ALDH1A1
SCHEMBL5573297 0.85 ADAMTS5 (0.73) ADAMTS5CA12CA9POLBGAA
SCHEMBL5573300 0.85 ADAMTS5 (0.73) ADAMTS5CA12CA9POLBGAA
SCHEMBL5574109 0.83 ALDH1A1 (0.47) ADAMTS5CA1CA12CA9ALDH1A1
SCHEMBL28644268 0.81 ADAMTS5 (0.57) ADAMTS5CA12CA9ALDH1A1CA2
SCHEMBL5572753 0.81 SMN1; SMN2 (0.55) CA1CA12CA9ALDH1A1ITGB1
SCHEMBL5572796 0.80 CTSL (0.45) ADAMTS5CA1CA12CA9ALDH1A1
SCHEMBL5850973 0.79 CA1 (0.51) CA1CA12CA9ALDH1A1ITGB1
SCHEMBL5573330 0.79 MEN1 (0.58) CA1CA12CA9ALDH1A1ITGB1
SCHEMBL5572780 0.78 MMP9 (0.62) ADAMTS5ALDH1A1MMP9CA2TDP1

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-7166580-B2 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-01-23 US claimed
US-20030166575-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN MA INC. 2003-09-04 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 ADAMTS5 1841/4885CA1 916/4885CA12 2790/4885

“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.