SCHEMBL2536488

SCHEMBL2536488

CCC(NC(=N)N)[C@@H]1NC(=O)[C@H](CCCCNC(=O)Cn2cc(CCCF)nn2)NC(=O)N(Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 12/20 0.44
▸ ITGAV P06756 12/20 0.44
▸ ITGB1 P05556 4/20 0.44
▸ ITGA5 P08648 4/20 0.44
▸ MC4R P32245 7/20 0.38
▸ MC5R P33032 7/20 0.38
▸ MC3R P41968 7/20 0.38
▸ MC1R Q01726 7/20 0.38
▸ FOLH1 Q04609 1/20 0.37
▸ ITGB5 P18084 6/20 0.36
▸ ITGB6 P18564 1/20 0.36
▸ ITGB8 P26012 1/20 0.36

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
SCHEMBL2532504 0.95 ITGB3 (0.42) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL2536491 0.90 ITGB3 (0.50) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL15107694 0.86 ITGB3 (0.48) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL2532508 0.85 ITGB3 (0.47) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL12227486 0.85 ITGB3 (0.47) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL2534763 0.84 ITGB3 (0.46) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL12227495 0.81 ITGB3 (0.44) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL13941300 0.81 ITGB3 (0.44) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL13918124 0.81 ITGB3 (0.45) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL13940559 0.80 ITGB3 (0.44) ITGB3ITGAVITGB1ITGA5MC4R

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
EP-2182974-B1 CYCLIC AZAPEPTIDES AS INTEGRIN MARKERS SIEMENS MEDICAL SOLUTIONS (US) 2015-08-26 — — EP disclosed
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 1/4885ITGB1 4/4885
US-20090074664-A1 CYCLIC AZAPEPTIDES AS INTEGRIN MARKERS ITGAV, ITGB3, ITGA2B ITGB3 2/4885ITGAV 1/4885ITGB1 4/4885

“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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