SCHEMBL3838677

SCHEMBL3838677

COc1cccc(C(=O)N2CC=C(c3ccc(C[C@H](NC(=O)c4c(Cl)cccc4Cl)C(=O)O)cc3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.52
ITGB1 P05556 16/20 0.52
ITGA5 P08648 2/20 0.52
ITGA4 P13612 16/20 0.51
ITGB7 P26010 13/20 0.50
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL3831343 0.95 ITGB1 (0.51) NAMPTITGB1ITGA5ITGA4ITGB7
SCHEMBL3835204 0.91 NAMPT (0.53) NAMPTITGB1ITGA5ITGA4ITGB7
SCHEMBL3833907 0.89 ITGB1 (0.51) ITGB1ITGA5ITGA4ITGB7
SCHEMBL3838531 0.89 NAMPT (0.49) NAMPTITGB1ITGA5ITGA4ITGB7
SCHEMBL3830610 0.89 ITGA4 (0.51) ITGB1ITGA5ITGA4ITGB7
SCHEMBL4145702 0.88 ITGA4 (0.51) ITGB1ITGA4ITGB7TDP1
SCHEMBL3833246 0.88 ITGB1 (0.52) NAMPTITGB1ITGA5ITGA4ITGB7
SCHEMBL3829634 0.87 ITGB1 (0.49) ITGB1ITGA5ITGA4ITGB7
SCHEMBL3834136 0.87 ITGA4 (0.52) ITGB1ITGA5ITGA4ITGB7
SCHEMBL3840389 0.87 ITGB1 (0.49) ITGB1ITGA5ITGA4ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 US claimed
EP-2091916-A2 L-PHENYLALANINE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS AstraZeneca AB (SE) 2009-08-26 EP disclosed
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 US disclosed
WO-2007060408-A2 L-PHENYLALANINE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-31 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 (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-20090137601-A1 L-Phenylalanine Derivatives ITGB5, ITGB1, ITGA2B NAMPT 1766/4885ITGB1 2/4885ITGA5 10/4885

“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.