SCHEMBL2974007

SCHEMBL2974007

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cn1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.56
ITGA4 P13612 20/20 0.56

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
SCHEMBL5149425 0.90 ITGB1 (0.44) ITGB1ITGA4
SCHEMBL2880989 0.87 ITGB1 (0.74) ITGB1ITGA4
SCHEMBL5576889 0.82 ITGB1 (0.56) ITGB1ITGA4
SCHEMBL5149439 0.79 ITGB1 (0.39) ITGB1ITGA4
SCHEMBL5149434 0.79 ITGB1 (0.44) ITGB1ITGA4
SCHEMBL16228415 0.78 CTSS (0.50) ITGA4
SCHEMBL2979007 0.77 ITGB1 (0.55) ITGB1ITGA4
SCHEMBL4316611 0.77 ITGB1 (0.59) ITGB1ITGA4
SCHEMBL13913372 0.77 ITGB1 (0.59) ITGB1ITGA4
SCHEMBL6561608 0.77 ITGB1 (0.69) 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 12 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
EP-1370531-B1 PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS CELLTECH R&D LTD (GB) 2007-02-28 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 (5 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 462/4885
US-20090105291-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR ITGB1 100/4885ITGA4 513/4885
US-20050038084-A1 Phenylalanine enamide derivatives PAH, ARRB1, ACVR2B ITGB1 34/4885ITGA4 316/4885
US-20020169336-A1 Phenylalanine enamide derivatives CCR1, AHR, PAH ITGB1 61/4885ITGA4 443/4885
US-20090186914-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR ITGB1 100/4885ITGA4 513/4885

“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.