SCHEMBL4788028

SCHEMBL4788028

COC(=O)[C@@H](N)Cc1ccc(OCCc2ccc3c(n2)NCCC3)s1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.47
ITGB3 P05106 19/20 0.47
ITGB6 P18564 14/20 0.47
ITGB5 P18084 5/20 0.47
ITGA2B P08514 2/20 0.47
ITGB1 P05556 2/20 0.45
ITGA5 P08648 1/20 0.45

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
SCHEMBL4245661 0.86 ITGAV (0.49) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL4200668 0.84 ITGB3 (0.65) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL4193839 0.83 ITGB3 (0.56) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL4749452 0.81 ITGAV (0.58) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL4245742 0.79 ITGB1 (0.58) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL4197149 0.78 ITGAV (0.51) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL4191727 0.77 ITGB1 (0.50) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL24683292 0.77 ITGAV (0.61) ITGAVITGB3ITGB6
SCHEMBL29813809 0.77 ITGAV (0.61) ITGAVITGB3ITGB6
SCHEMBL21852991 0.77 ITGAV (0.61) ITGAVITGB3ITGB6

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
WO-2008125811-A1 N-[HETEROARYLCARBONYL]-S-THIENYL-L-ALANINE DERIVATIVES AS α5β1 ANTAGONISTS ASTRAZENECA AB (SE) 2008-10-23 WO disclosed
US-20080255183-A1 N-[HETEROARYLCARBONYL]-3-THIENYL-L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2008-10-16 US disclosed
US-20080255183-A1 N-[HETEROARYLCARBONYL]-3-THIENYL-L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2008-10-16 US disclosed
US-20080255183-A1 N-[HETEROARYLCARBONYL]-3-THIENYL-L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2008-10-16 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-20080255183-A1 N-[HETEROARYLCARBONYL]-3-THIENYL-L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ITGA2B, ITGB1, ITGB5 ITGAV 9/4885ITGB3 5/4885ITGB6 14/4885

“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.