SCHEMBL2534763

SCHEMBL2534763

CCC(NC(=N)N)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)N(Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 18/20 0.46
▸ ITGAV P06756 14/20 0.46
▸ ITGB5 P18084 8/20 0.42
▸ ITGB1 P05556 1/20 0.42
▸ ITGA5 P08648 1/20 0.42
▸ ITGA2B P08514 4/20 0.41
▸ CD2 P06729 1/20 0.41
▸ CD58 P19256 1/20 0.41
▸ ST14 Q9Y5Y6 1/20 0.40

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
SCHEMBL19581485 0.89 ITGB3 (0.51) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL2534766 0.85 ITGB3 (0.48) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL2536488 0.84 ITGB3 (0.44) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL17029693 0.81 ITGB3 (0.45) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL2532504 0.79 ITGB3 (0.42) ITGB3ITGAVITGB1ITGA5
SCHEMBL17023187 0.79 ITGB3 (0.43) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL16177739 0.77 ITGB3 (0.54) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL23802907 0.76 ITGB3 (0.46) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL451422 0.75 ITGB3 (0.52) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL13918136 0.73 ITGB3 (0.48) ITGB3ITGAVITGB5ITGB1ITGA5

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
US-8486372-B2 Cyclic azapeptides as integrin markers and methods of using SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-07-16 — — US disclosed
US-8043601-B2 Cyclic azapeptides as integrin markers SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-10-25 — — US disclosed
US-20110256057-A1 Cyclic Azapeptides as Integrin Markers and Methods of Using SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-10-20 — — US disclosed
US-20090074664-A1 CYCLIC AZAPEPTIDES AS INTEGRIN MARKERS SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-03-19 — — 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 (2 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-20110256057-A1 Cyclic Azapeptides as Integrin Markers and Methods of Using ITGAV, ITGB3, ITGA2B ITGB3 2/4885ITGAV 1/4885ITGB5 10/4885
US-20090074664-A1 CYCLIC AZAPEPTIDES AS INTEGRIN MARKERS ITGAV, ITGB3, ITGA2B ITGB3 2/4885ITGAV 1/4885ITGB5 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.

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