SCHEMBL5572776

SCHEMBL5572776

Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2C(=O)[C@@H]2Cc3ccccc3N2)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 11/20 0.48
MMP2 P08253 11/20 0.48
TDP1 Q9NUW8 1/20 0.46
MMP3 P08254 1/20 0.43
MMP13 P45452 1/20 0.43
ADAMTS4 O75173 1/20 0.43
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5569749 0.90 CTSL (0.44) MMP9MMP2TDP1ADAMTS4ALDH1A1
SCHEMBL5572773 0.72 GAA (0.43) MMP9MAPTALDH1A1GAAKMT2A
SCHEMBL1203540 0.71 MMP2 (0.79) MMP9MMP2TDP1MMP3MMP13
SCHEMBL697476 0.71 MMP2 (0.79) MMP9MMP2TDP1MMP3MMP13
SCHEMBL697477 0.71 MMP2 (0.79) MMP9MMP2TDP1MMP3MMP13
Hydrochloric Acid SCHEMBL3839410 0.70 MMP2 (0.77) MMP9MMP2TDP1MMP3MMP13
Hydrochloric Acid SCHEMBL11133046 0.70 MMP2 (0.77) MMP9MMP2TDP1MMP3MMP13
Chloromethane SCHEMBL7649372 0.69 MMP2 (0.75) MMP9MMP2TDP1MMP3MMP13
Hydrochloric Acid SCHEMBL28872216 0.69 MMP2 (0.75) MMP9MMP2TDP1MMP3MMP13
SCHEMBL8063645 0.69 TDP1 (0.78) MMP9MMP2TDP1MMP3MMP13

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

“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.