SCHEMBL5362373

SCHEMBL5362373

O=C(Nc1ccc(CC(Nc2cccc(Cl)c2)C(=O)O)cc1)c1c(Cl)cncc1Cl

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.71
ITGA4 P13612 20/20 0.71

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
SCHEMBL5361765 0.90 ITGB1 (0.69) ITGB1ITGA4
SCHEMBL5377828 0.88 ITGB1 (0.69) ITGB1ITGA4
SCHEMBL5360227 0.88 ITGB1 (0.67) ITGB1ITGA4
SCHEMBL5366858 0.88 ITGB1 (0.69) ITGB1ITGA4
SCHEMBL5360022 0.87 ITGB1 (0.66) ITGB1ITGA4
SCHEMBL5359808 0.86 ITGB1 (0.71) ITGB1ITGA4
SCHEMBL5366653 0.86 ITGB1 (0.73) ITGB1ITGA4
SCHEMBL5365909 0.85 ITGB1 (0.72) ITGB1ITGA4
SCHEMBL5368023 0.85 ITGB1 (0.63) ITGB1ITGA4
SCHEMBL5370340 0.85 ITGB1 (0.65) ITGB1ITGA4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291645-B2 Phenylalanine derivatives as alpha 4 integrin inhibitors ELAN PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
US-7015216-B2 Heteroaryl-β-alanine derivatives as alpha 4 integrin inhibitors ELAN PHARMACEUTICALS, INC. (US) 2006-03-21 US disclosed
US-20040127486-A1 Phenylalanine derivatives as alpha 4 integrin inhibitors ELAN PHARMACEUTICALS, INC. 2004-07-01 US disclosed
US-6689781-B2 TREATING AN INFLAMMATORY CONDITION IN A MAMMALIAN PATIENT WHICH CONDITION IS MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. 2004-02-10 US disclosed
US-6677339-B2 S-3-(4-(3,5-DICHLOROPYRID-4-YLCARBOXAMIDO)PHENYL)-2-(4,6-DIMET HOXY-1,3,5-TRIAZIN-2-YLAMINO)PROPANOIC ACID FOR EXAMPLE; INHIBIT BINDING OF ALPHA 4 INTEGRINS TO THEIR LIGANDS, FOR TREATING IMMUNE OR INFLAMMATORY DISORDERS CELLTECH R & D LIMITED (GB) 2004-01-13 US disclosed
US-20020086882-A1 Heteroaryl-beta-alanine derivatives as alpha 4 integrin inhibitors BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2002-07-04 US disclosed
US-20020055509-A1 Phenylalanine derivatives as alpha 4 integrin inhibitors BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2002-05-09 US disclosed
US-20020028812-A1 Phenylalanine derivatives CELLTECH CHIROSCIENCE LIMITED (GB) 2002-03-07 US disclosed
US-6348463-B1 Phenylalanine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2002-02-19 US disclosed
WO-2002008222-A2 HETEROARYL-β-ALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2002-01-31 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 (4 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-20020055509-A1 Phenylalanine derivatives as alpha 4 integrin inhibitors ITGB4, ITGA4, ITGB3 ITGB1 5/4885ITGA4 2/4885
US-20020086882-A1 Heteroaryl-beta-alanine derivatives as alpha 4 integrin inhibitors ITGAL, ITGB4, ITGA4 ITGB1 4/4885ITGA4 3/4885
US-20020028812-A1 Phenylalanine derivatives PAH, FPR1, VCAM1 ITGB1 4/4885ITGA4 32/4885
US-20040127486-A1 Phenylalanine derivatives as alpha 4 integrin inhibitors ITGB4, ITGA4, ITGB3 ITGB1 5/4885ITGA4 2/4885

“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.