SCHEMBL5572780

SCHEMBL5572780

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

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 8/20 0.62
▸ TDP1 Q9NUW8 1/20 0.61
▸ MMP2 P08253 9/20 0.61
▸ ADAMTS4 O75173 2/20 0.61
▸ ALDH1A1 P00352 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ CTSL P07711 1/20 0.55
▸ ADAMTS5 Q9UNA0 1/20 0.55
▸ MMP1 P03956 1/20 0.55
▸ MMP3 P08254 1/20 0.55
▸ MMP7 P09237 1/20 0.55
▸ MMP13 P45452 1/20 0.55
▸ CA2 P00918 1/20 0.54
▸ CA7 P43166 1/20 0.54

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
SCHEMBL5572756 0.88 CTSL (0.58) MMP9TDP1MMP2ADAMTS4ALDH1A1
SCHEMBL1203540 0.87 MMP2 (0.79) MMP9TDP1MMP2ADAMTS4ALDH1A1
SCHEMBL697476 0.87 MMP2 (0.79) MMP9TDP1MMP2ADAMTS4ALDH1A1
SCHEMBL697477 0.87 MMP2 (0.79) MMP9TDP1MMP2ADAMTS4ALDH1A1
SCHEMBL5572742 0.87 MMP9 (0.62) MMP9TDP1MMP2ADAMTS4ALDH1A1
Hydrochloric Acid SCHEMBL3839410 0.86 MMP2 (0.77) MMP9TDP1MMP2ADAMTS4ALDH1A1
Hydrochloric Acid SCHEMBL11133046 0.86 MMP2 (0.77) MMP9TDP1MMP2ADAMTS4ALDH1A1
SCHEMBL6147905 0.85 MMP9 (0.62) MMP9TDP1MMP2ADAMTS4ALDH1A1
Hydrochloric Acid SCHEMBL28872216 0.85 MMP2 (0.75) MMP9TDP1MMP2ADAMTS4ALDH1A1
Chloromethane SCHEMBL7649372 0.85 MMP2 (0.75) MMP9TDP1MMP2ADAMTS4ALDH1A1

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 MMP9 516/4885TDP1 3892/4885MMP2 426/4885

“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.

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