SCHEMBL7069664

SCHEMBL7069664

Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.56
FKBP1A P62942 3/20 0.55
ALDH1A1 P00352 1/20 0.53
ITGB1 P05556 3/20 0.52
ITGA5 P08648 2/20 0.52
ITGA2 P17301 1/20 0.51
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CAPN1 P07384 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL7070631 0.88 ITGA4 (0.64) ITGA4FKBP1AALDH1A1ITGB1ITGA5
SCHEMBL7070012 0.87 FKBP1A (0.59) ITGA4FKBP1AALDH1A1ITGB1ITGA5
SCHEMBL7066750 0.86 FKBP1A (0.58) ITGA4FKBP1AALDH1A1ITGB1ITGA5
SCHEMBL7069740 0.86 ALDH1A1 (0.70) ITGA4FKBP1AALDH1A1ITGB1ITGA5
SCHEMBL6710892 0.86 ALDH1A1 (0.70) ITGA4FKBP1AALDH1A1ITGB1ITGA5
SCHEMBL7066469 0.86 ALDH1A1 (0.70) ITGA4FKBP1AALDH1A1ITGB1ITGA5
SCHEMBL6439213 0.86 ALDH1A1 (0.70) ITGA4FKBP1AALDH1A1ITGB1ITGA5
SCHEMBL27514023 0.86 ALDH1A1 (0.70) ITGA4FKBP1AALDH1A1ITGB1ITGA5
SCHEMBL7071151 0.85 ITGA4 (0.58) ITGA4FKBP1AALDH1A1ITGB1ITGA5
SCHEMBL7071158 0.84 FKBP1A (0.62) ITGA4FKBP1AALDH1A1ITGB1ITGA5

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 ITGA4 10/4885FKBP1A 4543/4885ALDH1A1 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.