SCHEMBL4207352

SCHEMBL4207352

O=C(N[C@@H](Cc1ccc(C2=CCN(C(=O)c3cccc(F)c3)CC2)cn1)C(=O)O)c1c(Cl)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.47
ITGB1 P05556 9/20 0.42
ITGA5 P08648 4/20 0.42
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ITGA4 P13612 5/20 0.41
ITGB7 P26010 4/20 0.41
EGLN1 Q9GZT9 1/20 0.41
SCD O00767 1/20 0.41
SCD5 Q86SK9 1/20 0.41
ITGB2 P05107 5/20 0.41
ICAM1 P05362 5/20 0.41
ITGAL P20701 5/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL4214964 0.90 ITGB1 (0.55) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL3833246 0.90 ITGB1 (0.52) NAMPTITGB1ITGA5ITGA4ITGB7
SCHEMBL3835432 0.85 ITGB1 (0.52) NAMPTITGB1ITGA5ITGA4ITGB7
SCHEMBL4204492 0.84 ITGB1 (0.42) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL4201480 0.83 ITGB1 (0.44) NAMPTITGB1ITGA5ITGB3ITGAV
SCHEMBL4201507 0.83 ITGB1 (0.49) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL4209523 0.82 ITGB1 (0.46) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL4220257 0.82 ITGB1 (0.42) NAMPTITGB1ITGA5ITGB3ITGAV
SCHEMBL4218356 0.82 ITGB1 (0.42) ITGB1ITGA5ITGB3ITGAVLMNA
SCHEMBL4215861 0.81 ITGB1 (0.43) ITGB1ITGA5ITGB3ITGAVITGA4

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 NAMPT 1019/4885ITGB1 2/4885ITGA5 9/4885

“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.