SCHEMBL5572779

SCHEMBL5572779

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.61
PLAT P00750 1/20 0.61
MMP9 P14780 5/20 0.56
TDP1 Q9NUW8 1/20 0.55
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
MMP2 P08253 5/20 0.54
ADAMTS4 O75173 1/20 0.54
ALDH1A1 P00352 2/20 0.53
CA12 O43570 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
ATM Q13315 1/20 0.53
CA9 Q16790 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ITGB1 P05556 2/20 0.53
ITGA4 P13612 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 1/20 0.52
CA2 P00918 1/20 0.50

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
SCHEMBL7326793 0.89 PLAT (0.56) PLAUPLATMMP9TDP1POLB
SCHEMBL7319479 0.85 PLAT (0.52) PLAUPLATMMP9TDP1POLB
SCHEMBL7319472 0.84 PLAT (0.51) PLAUPLATMMP9TDP1POLB
SCHEMBL20335036 0.82 GAA (0.75) MMP9TDP1POLBGAAMMP2
SCHEMBL20335034 0.82 GAA (0.75) MMP9TDP1POLBGAAMMP2
SCHEMBL697476 0.82 MMP2 (0.79) MMP9TDP1POLBMMP2ADAMTS4
SCHEMBL1203540 0.82 MMP2 (0.79) MMP9TDP1POLBMMP2ADAMTS4
SCHEMBL697477 0.82 MMP2 (0.79) MMP9TDP1POLBMMP2ADAMTS4
Hydrochloric Acid SCHEMBL3839410 0.81 MMP2 (0.77) MMP9TDP1POLBMMP2ADAMTS4
Hydrochloric Acid SCHEMBL11133046 0.81 MMP2 (0.77) MMP9TDP1POLBMMP2ADAMTS4

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 PLAU 1688/4885PLAT 1146/4885MMP9 516/4885

“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.