SCHEMBL3873136

SCHEMBL3873136

CCCCCCC1=C(NC(Cc2ccc(Oc3nc(C)cc4ccncc34)cc2)C(=O)O)C(C)(C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 14/20 0.38
ITGA4 P13612 14/20 0.38
SLC10A1 Q14973 1/20 0.37
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33

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
SCHEMBL2987403 1.00 ITGB1 (0.38) ITGB1ITGA4SLC10A1ITGB3ITGA2B
SCHEMBL2986901 0.90 ITGB1 (0.41) ITGB1ITGA4SLC10A1ITGB3ITGA2B
SCHEMBL2981066 0.85 ITGB1 (0.51) ITGB1ITGA4
SCHEMBL5147702 0.84 ITGB1 (0.34) ITGB1ITGA4SLC10A1ICAM1SELE
SCHEMBL5262264 0.79 ITGB1 (0.38) ITGB1ITGA4
SCHEMBL5260326 0.79 ITGB1 (0.38) ITGB1ITGA4
SCHEMBL2978545 0.79 ITGB1 (0.43) ITGB1ITGA4ITGB3ITGA2B
SCHEMBL2978548 0.79 ITGB1 (0.43) ITGB1ITGA4ITGB3ITGA2B
SCHEMBL2982408 0.78 ITGB1 (0.54) ITGB1ITGA4
SCHEMBL5149334 0.78 JAK2 (0.38) ITGB1ITGA4ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531549-B2 Phenylalanine enamide derivatives UCB PHARMA, S.A. (BE) 2009-05-12 US disclosed
US-20070027174-A1 Phenylalanine Enamide Derivatives CELLTECH R&D LIMITED 2007-02-01 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-20070027174-A1 Phenylalanine Enamide Derivatives PAH, HRH3, AGTR2 ITGB1 77/4885ITGA4 462/4885SLC10A1 967/4885

“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.