SCHEMBL7069024

SCHEMBL7069024

CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
POLB P06746 1/20 0.53
RAB9A P51151 1/20 0.51
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ITGA4 P13612 6/20 0.47
CAPN1 P07384 3/20 0.46
ITGB1 P05556 5/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44

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
SCHEMBL7069632 0.91 ALDH1A1 (0.65) MEN1KMT2AALDH1A1MMP2MMP9
SCHEMBL7070631 0.83 ITGA4 (0.64) ALDH1A1MMP2MMP9RAB9AMAPK1
SCHEMBL5163670 0.81 CAPN1 (0.68) KMT2AITGA4CAPN1ITGB1
SCHEMBL20349859 0.79 ALDH1A1 (0.52) KMT2AALDH1A1MMP2MMP9ITGA4
SCHEMBL20194646 0.79 ALDH1A1 (0.52) KMT2AALDH1A1MMP2MMP9ITGA4
SCHEMBL7122131 0.78 MEN1 (0.54) MEN1KMT2AALDH1A1MMP2MMP9
SCHEMBL13845789 0.77 MEN1 (0.55) MEN1KMT2AALDH1A1MMP2MMP9
SCHEMBL7069664 0.77 ITGA4 (0.56) ALDH1A1MMP2MMP9RAB9AMAPK1
SCHEMBL7070012 0.77 FKBP1A (0.59) MEN1KMT2AALDH1A1MMP2MMP9
SCHEMBL7070244 0.77 ALDH1A1 (0.54) MEN1KMT2AALDH1A1ITGA4CAPN1

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-20030065193-A1 Benzyl compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-04-03 US claimed
US-6362341-B1 ANTIINFLAMMATORY AGENTS ATHENA NEUROSCIENCES, INC. 2002-03-26 US claimed
EP-1001975-A1 BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP claimed
WO-1999006436-A1 BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed
US-6586602-B2 CD antigen antagonists such as N-(methanesulfonyl)-L-prolyl-L-phenylalanine and prodrugs used as antiinflammatory agents BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-07-01 US disclosed
US-20030065193-A1 Benzyl compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-04-03 US disclosed
US-6362341-B1 ANTIINFLAMMATORY AGENTS ATHENA NEUROSCIENCES, INC. 2002-03-26 US disclosed
EP-1001975-A1 BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP disclosed
WO-1999006436-A1 BENZYL 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-20030065193-A1 Benzyl compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGB4 MEN1 1824/4885KMT2A 1002/4885ALDH1A1 369/4885

“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.