SCHEMBL22193980

SCHEMBL22193980

CC(C)C1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N1C

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.62
ITGAV P06756 17/20 0.62
ITGB5 P18084 13/20 0.59
ITGA2B P08514 5/20 0.59
ITGB1 P05556 2/20 0.59
ITGA5 P08648 2/20 0.59
ITGB6 P18564 1/20 0.59

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
Cilengitide SCHEMBL26970603 0.87 ITGB3 (0.78) ITGB3ITGAVITGB5ITGA2BITGB1
Cilengitide SCHEMBL19534260 0.87 ITGB3 (0.78) ITGB3ITGAVITGB5ITGA2BITGB1
Cilengitide SCHEMBL34082 0.87 ITGB3 (0.78) ITGB3ITGAVITGB5ITGA2BITGB1
Cilengitide SCHEMBL29403053 0.87 ITGB3 (0.77) ITGB3ITGAVITGB5ITGA2BITGB1
Cilengitide SCHEMBL31098146 0.84 ITGB3 (0.72) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL16884024 0.82 ITGB3 (0.62) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL22193974 0.82 ITGB3 (0.62) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL16883990 0.82 ITGB3 (0.62) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL24433330 0.82 ITGB3 (0.58) ITGB3ITGAVITGB5ITGA2BITGB1
Cyclorgdfv SCHEMBL30636069 0.77 ITGB3 (0.78) ITGB3ITGAVITGB5ITGA2BITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200216517-A1 Integrin Antagonists THE GENERAL HOSPITAL CORPORATION 2020-07-09 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-20200216517-A1 Integrin Antagonists ITGB3, ITGA2B, ITGB1 ITGB3 1/4885ITGAV 8/4885ITGB5 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.