SCHEMBL4210168

SCHEMBL4210168

O=C(N[C@@H](Cc1ccc(C2=CCN(C(=O)c3onc4ccccc34)CC2)cn1)C(=O)O)c1c(Cl)cccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 14/20 0.40
ITGA5 P08648 4/20 0.40
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
SCD O00767 1/20 0.39
SCD5 Q86SK9 1/20 0.39
ITGA4 P13612 13/20 0.38
ITGB7 P26010 11/20 0.38
NAMPT P43490 1/20 0.38
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3837009 0.90 ITGA4 (0.47) ITGB1ITGA5ITGA4ITGB7
SCHEMBL4220257 0.86 ITGB1 (0.42) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL4221351 0.83 ITGB1 (0.45) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL4201480 0.82 ITGB1 (0.44) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL4207352 0.81 NAMPT (0.47) ITGB1ITGA5ITGB3ITGAVSCD
SCHEMBL4204492 0.80 ITGB1 (0.42) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL4204350 0.79 ITGB1 (0.47) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL4209523 0.79 ITGB1 (0.46) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL4214964 0.79 ITGB1 (0.55) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL4973105 0.79 ITGB1 (0.39) ITGB1ITGA5ITGAVITGA4ITGB7

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-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

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 2/4885ITGA5 9/4885ITGB3 7/4885

“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.