SCHEMBL2987403

SCHEMBL2987403

CCCCCCC1=C(N[C@@H](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
SCHEMBL3873136 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786177-B2 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2010-08-31 US disclosed
US-7645770-B2 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2010-01-12 US disclosed
US-20090186914-A1 Phenylalanine Enamide Derivatives UCB PHARMA, S.A. (BE) 2009-07-23 US disclosed
US-7531549-B2 Phenylalanine enamide derivatives UCB PHARMA, S.A. (BE) 2009-05-12 US disclosed
US-20090105291-A1 Phenylalanine Enamide Derivatives RIGEL PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-7501437-B2 Phenylalanine enamide derivatives UCB PHARMA, S.A. (BE) 2009-03-10 US disclosed
US-20070167483-A1 2-[(2-Isopropylsulfanyl-3-oxo-spiro[3.5]non-1-en-1-yl)amino]-3-[4-([2,7]naphthyridin-1-ylamino)phenyl]propanoic acid; compounds can inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders UCB PHARMA S.A. (BE) 2007-07-19 US disclosed
EP-1780201-A2 PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS Celltech R&D Limited (GB) 2007-05-02 EP disclosed
US-20070027174-A1 Phenylalanine Enamide Derivatives CELLTECH R&D LIMITED 2007-02-01 US disclosed
US-7122556-B2 Phenylalanine enamide derivatives CELLTECH R&D LIMITED (GB) 2006-10-17 US disclosed
US-6878718-B2 Phenylalanine enamide derivatives CELLTECH R&D LIMITED (GB) 2005-04-12 US disclosed
US-20050038084-A1 Phenylalanine enamide derivatives CELLTECH R&D LIMITED 2005-02-17 US disclosed
US-20020169336-A1 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2002-11-14 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 (6 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
US-20090105291-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR ITGB1 100/4885ITGA4 513/4885SLC10A1 1233/4885
US-20050038084-A1 Phenylalanine enamide derivatives PAH, ARRB1, ACVR2B ITGB1 34/4885ITGA4 316/4885SLC10A1 1088/4885
US-20020169336-A1 Phenylalanine enamide derivatives CCR1, AHR, PAH ITGB1 61/4885ITGA4 443/4885SLC10A1 1221/4885
US-20070167483-A1 2-[(2-Isopropylsulfanyl-3-oxo-spiro[3.5]non-1-en-1-yl)amino]-3-[4-([2,7]naphthyridin-1-ylamino)phenyl]propanoic acid; compounds can inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders ITGB2, VCAM1, ITGB1 ITGB1 3/4885ITGA4 40/4885SLC10A1 827/4885
US-20090186914-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR ITGB1 100/4885ITGA4 513/4885SLC10A1 1233/4885

“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.