SCHEMBL7580313

SCHEMBL7580313

CCCS(=O)(=O)c1cc(NN[C@@H](Cc2ccc(NC(=O)c3c(Cl)c[n+]([O-])cc3Cl)cc2)C(=O)O)ncn1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.70
ITGA4 P13612 20/20 0.70

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
SCHEMBL5370042 0.82 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL5362620 0.82 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL5370677 0.76 ITGB1 (0.77) ITGB1ITGA4
SCHEMBL5359109 0.72 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL5367575 0.71 ITGB1 (0.69) ITGB1ITGA4
SCHEMBL5361757 0.71 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL6105278 0.70 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL5361754 0.69 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL6518276 0.69 ITGB1 (0.71) ITGB1ITGA4
SCHEMBL5204869 0.68 ITGB1 (0.50) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020028812-A1 Phenylalanine derivatives CELLTECH CHIROSCIENCE LIMITED (GB) 2002-03-07 US claimed
US-6348463-B1 Phenylalanine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2002-02-19 US claimed
EP-1117657-A1 PHENYLALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2001-07-25 EP claimed
WO-2000018759-A1 PHENYLALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2000-04-06 WO claimed
US-6348463-B1 Phenylalanine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2002-02-19 US disclosed
EP-1117657-A1 PHENYLALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2001-07-25 EP disclosed
WO-2000018759-A1 PHENYLALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2000-04-06 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-20020028812-A1 Phenylalanine derivatives PAH, FPR1, VCAM1 ITGB1 4/4885ITGA4 32/4885

“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.