SCHEMBL279121

SCHEMBL279121

N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCOCCN)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.64
ITGAV P06756 4/20 0.64
ITGB1 P05556 1/20 0.64
ITGA5 P08648 1/20 0.64
ITGB5 P18084 3/20 0.55
MC4R P32245 10/20 0.50
MC5R P33032 10/20 0.50
MC3R P41968 10/20 0.50
MC1R Q01726 10/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
HSP90AB1 P08238 1/20 0.47
ITGA2B P08514 4/20 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
SCHEMBL7744481 1.00 ITGB3 (0.64) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL16177741 0.93 ITGB3 (0.61) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14885782 0.93 ITGB3 (0.61) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14075719 0.90 ITGB3 (0.54) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL16995729 0.88 ITGB3 (0.58) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14585830 0.88 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL24285406 0.88 ITGB3 (0.60) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL10138534 0.88 ITGB3 (0.60) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL15397366 0.88 ITGB3 (0.60) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL18968795 0.88 ITGB3 (0.55) ITGB3ITGAVITGB1ITGA5ITGB5

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 12 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-8486372-B2 Cyclic azapeptides as integrin markers and methods of using SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-07-16 US disclosed
US-8133472-B2 Cyclopeptides containing RGD mimetics as imaging markers for integrins SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-03-13 US disclosed
US-8043601-B2 Cyclic azapeptides as integrin markers SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-10-25 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-20110256057-A1 Cyclic Azapeptides as Integrin Markers and Methods of Using SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-10-20 US disclosed
US-20100074844-A1 Cyclopeptides Containing RGD Mimetics As Imaging Markers For Integrins SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-03-25 US disclosed
US-20090074664-A1 CYCLIC AZAPEPTIDES AS INTEGRIN MARKERS SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-03-19 US disclosed
US-20090074664-A1 CYCLIC AZAPEPTIDES AS INTEGRIN MARKERS SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-03-19 US disclosed
US-20080213175-A1 Click chemistry-derived cyclic peptidomimetics as integrin markers SIEMENS MEDICAL SOLUTIONS USA, INC. 2008-09-04 US disclosed
US-20080213175-A1 Click chemistry-derived cyclic peptidomimetics as integrin markers SIEMENS MEDICAL SOLUTIONS USA, INC. 2008-09-04 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 (4 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-20100074844-A1 Cyclopeptides Containing RGD Mimetics As Imaging Markers For Integrins ITGB3, ITGAV, ITGB1 ITGB3 1/4885ITGAV 2/4885ITGB1 3/4885
US-20110256057-A1 Cyclic Azapeptides as Integrin Markers and Methods of Using ITGAV, ITGB3, ITGA2B ITGB3 2/4885ITGAV 1/4885ITGB1 4/4885
US-20080213175-A1 Click chemistry-derived cyclic peptidomimetics as integrin markers ITGB1, ITGAM, ITGB3 ITGB3 3/4885ITGAV 8/4885ITGB1 1/4885
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.