SCHEMBL29540474

SCHEMBL29540474

CC(C)C[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 7/20 0.58
ITGB8 P26012 5/20 0.58
ITGB3 P05106 2/20 0.54
ITGB5 P18084 2/20 0.54
ITGB1 P05556 1/20 0.54
ITGA5 P08648 1/20 0.54
ITGB6 P18564 2/20 0.52
ELANE P08246 4/20 0.50
ACE2 Q9BYF1 6/20 0.48
ACE P12821 3/20 0.48
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
PLAU P00749 1/20 0.47
PIN1 Q13526 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
SCHEMBL29540413 0.91 ITGAV (0.67) ITGAVITGB8ITGB3ITGB5ITGB1
SCHEMBL29540460 0.91 ITGAV (0.68) ITGAVITGB8ITGB3ITGB5ITGB1
SCHEMBL29540531 0.89 ITGAV (0.65) ITGAVITGB8ITGB3ITGB5ITGB1
SCHEMBL30883998 0.88 ITGAV (0.64) ITGAVITGB8ITGB3ITGB5ITGB1
SCHEMBL29540391 0.87 ELANE (0.61) ITGAVITGB8ITGB3ITGB5ITGB1
SCHEMBL30883996 0.86 ITGAV (0.74) ITGAVITGB8ITGB3ITGB5ITGB1
SCHEMBL29540118 0.86 ITGAV (0.74) ITGAVITGB8ITGB3ITGB5ITGB1
SCHEMBL29540230 0.85 ITGAV (0.69) ITGAVITGB8ITGB3ITGB5ITGB1
SCHEMBL29666557 0.83 HDAC4 (0.55) ACE2ACEPIN1
SCHEMBL29811168 0.82 ITGAV (0.55) ITGAVITGB8ITGB3ITGB5ITGB1

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
EP-3596105-B1 LIGANDS FOR INTEGRIN .ALPHA.V.BETA.8, SYNTHESIS AND USES THEREOF UNIV MUENCHEN TECH (DE) 2023-12-27 EP claimed
US-11332498-B2 Ligands for integrin αVβ8, synthesis and uses thereof TECHNISCHE UNIVERSITAT MUNCHEN (DE) 2022-05-17 US claimed
EP-3596105-B1 LIGANDS FOR INTEGRIN .ALPHA.V.BETA.8, SYNTHESIS AND USES THEREOF UNIV MUENCHEN TECH (DE) 2023-12-27 EP disclosed
US-11332498-B2 Ligands for integrin αVβ8, synthesis and uses thereof TECHNISCHE UNIVERSITAT MUNCHEN (DE) 2022-05-17 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-11332498-B2 Ligands for integrin αVβ8, synthesis and uses thereof ITGB3, ITGB8, ITGA8 ITGAV 6/4885ITGB8 2/4885ITGB3 1/4885

“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.