SCHEMBL278801

SCHEMBL278801

N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.51
▸ CD2 P06729 1/20 0.45
▸ CD58 P19256 1/20 0.45
▸ CTSG P08311 1/20 0.44
▸ GNAI1 P63096 1/20 0.44
▸ KRAS P01116 1/20 0.44
▸ KDM4A O75164 1/20 0.43
▸ PLAU P00749 1/20 0.43
▸ ITGB3 P05106 6/20 0.42
▸ ITGA2B P08514 5/20 0.42
▸ NNMT P40261 1/20 0.42
▸ ITGB1 P05556 1/20 0.41
▸ ITGAV P06756 1/20 0.41
▸ ITGA5 P08648 1/20 0.41
▸ ITGB5 P18084 1/20 0.41
▸ KLKB1 P03952 2/20 0.40
▸ PLG P00747 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SSTR1 P30872 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
SCHEMBL278805 0.93 ITGB3 (0.46) CACNA1BCTSGKRASITGB3ITGA2B
SCHEMBL278941 0.91 CACNA1B (0.51) CACNA1BCD2CD58CTSGKRAS
SCHEMBL23839922 0.89 ITGB3 (0.56) CACNA1BCD2CD58CTSGGNAI1
SCHEMBL15308347 0.89 ITGB3 (0.56) CACNA1BCD2CD58CTSGGNAI1
SCHEMBL19018807 0.89 ITGB3 (0.56) CACNA1BCD2CD58CTSGGNAI1
SCHEMBL24454392 0.89 ITGB3 (0.56) CACNA1BCD2CD58CTSGGNAI1
SCHEMBL7746029 0.89 ITGB3 (0.56) CACNA1BCD2CD58CTSGGNAI1
SCHEMBL31328349 0.84 CXCR4 (0.46) KRASKDM4A
SCHEMBL278802 0.84 KRAS (0.43) CACNA1BKRASITGB3ITGB1ITGAV
SCHEMBL29393726 0.84 ITGB3 (0.59) CACNA1BCTSGKDM4AITGB3ITGA2B

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
US-8133472-B2 Cyclopeptides containing RGD mimetics as imaging markers for integrins SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-03-13 — — 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-20100074844-A1 Cyclopeptides Containing RGD Mimetics As Imaging Markers For Integrins SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-03-25 — — 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
WO-2009134382-A2 CYCLOPEPTIDES CONTAINING RGD MIMETICS AS IMAGING MARKERS FOR INTEGRINS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2009-11-05 — — WO 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-20100074844-A1 Cyclopeptides Containing RGD Mimetics As Imaging Markers For Integrins ITGB3, ITGAV, ITGB1 CACNA1B 1815/4885CD2 841/4885CD58 147/4885

“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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