SCHEMBL7066161

SCHEMBL7066161

Cc1ccc(S(=O)(=O)N2CCC(c3ccccc3)[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
ITGB1 P05556 11/20 0.54
ITGA4 P13612 10/20 0.54
ITGB7 P26010 2/20 0.50
KMT2A Q03164 3/20 0.48
ITGA5 P08648 2/20 0.48
MEN1 O00255 2/20 0.48
FKBP1A P62942 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL7070251 1.00 ALDH1A1 (0.66) ALDH1A1ITGB1ITGA4ITGB7KMT2A
SCHEMBL7405577 0.93 ALDH1A1 (0.55) ALDH1A1ITGB1ITGA4ITGB7KMT2A
SCHEMBL7066178 0.93 ALDH1A1 (0.55) ALDH1A1ITGB1ITGA4ITGB7KMT2A
SCHEMBL7070244 0.91 ALDH1A1 (0.54) ALDH1A1ITGB1ITGA4ITGB7KMT2A
SCHEMBL7069740 0.82 ALDH1A1 (0.70) ALDH1A1ITGB1ITGA4ITGB7KMT2A
SCHEMBL7066469 0.82 ALDH1A1 (0.70) ALDH1A1ITGB1ITGA4ITGB7KMT2A
SCHEMBL27514023 0.82 ALDH1A1 (0.70) ALDH1A1ITGB1ITGA4ITGB7KMT2A
SCHEMBL6439213 0.82 ALDH1A1 (0.70) ALDH1A1ITGB1ITGA4ITGB7KMT2A
SCHEMBL6710892 0.82 ALDH1A1 (0.70) ALDH1A1ITGB1ITGA4ITGB7KMT2A
SCHEMBL7069752 0.82 ALDH1A1 (0.69) ALDH1A1ITGB1ITGA4KMT2AITGA5

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 7 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

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 ALDH1A1 369/4885ITGB1 35/4885ITGA4 10/4885

“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.