SCHEMBL4201507

SCHEMBL4201507

O=C(N[C@@H](Cc1ccc(C2=CCN(Cc3ccc(F)cc3)CC2)cn1)C(=O)O)c1c(Cl)cccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 14/20 0.49
ITGA4 P13612 14/20 0.49
ITGB7 P26010 12/20 0.49
ITGA5 P08648 3/20 0.47
ITGB3 P05106 1/20 0.45
ITGAV P06756 1/20 0.45
EGLN1 Q9GZT9 1/20 0.43
MAPK1 P28482 1/20 0.42
HTR1A P08908 1/20 0.42

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
SCHEMBL4213608 0.94 EGLN1 (0.49) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL4204350 0.94 ITGB1 (0.47) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL4206404 0.93 ITGB1 (0.49) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL4207343 0.92 ITGB1 (0.45) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL4218356 0.91 ITGB1 (0.42) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL4201358 0.91 ITGB1 (0.51) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL4142883 0.90 ITGA4 (0.55) ITGB1ITGA4ITGB7MAPK1
SCHEMBL4212488 0.90 ITGB1 (0.52) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL4213599 0.90 ITGB1 (0.51) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL4212479 0.89 ITGB1 (0.52) ITGB1ITGA4ITGB7ITGA5ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111828-A1 L-ALANINE DERIVATIVES ASTRAZENECA AB 2009-04-30 US claimed
US-20090111828-A1 L-ALANINE DERIVATIVES ASTRAZENECA AB 2009-04-30 US disclosed
US-20090111828-A1 L-ALANINE DERIVATIVES ASTRAZENECA AB 2009-04-30 US disclosed
US-20090111828-A1 L-ALANINE DERIVATIVES ASTRAZENECA AB 2009-04-30 US disclosed
WO-2007060409-A1 L-ALANINE DERIVATIVES 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-20090111828-A1 L-ALANINE DERIVATIVES ITGA2B, ITGB1, ITGB5 ITGB1 2/4885ITGA4 19/4885ITGB7 15/4885

“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.