SCHEMBL278808

SCHEMBL278808

C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](c2ccccc2)NC(=O)[C@H](CC(=O)O)NC1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 13/20 0.45
▸ ITGB3 P05106 3/20 0.41
▸ ITGAV P06756 3/20 0.41
▸ ITGB5 P18084 3/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ ITGB1 P05556 1/20 0.39
▸ ITGA5 P08648 1/20 0.39
▸ MC4R P32245 3/20 0.39
▸ MC5R P33032 3/20 0.39
▸ MC3R P41968 3/20 0.39
▸ MC1R Q01726 3/20 0.39

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
SCHEMBL278802 0.91 KRAS (0.43) KRASITGB3ITGAVITGB5CACNA1B
SCHEMBL278647 0.89 CACNA1B (0.46) KRASITGB3ITGAVITGB5CACNA1B
SCHEMBL278941 0.84 CACNA1B (0.51) KRASITGB3ITGAVITGB5CACNA1B
SCHEMBL23999304 0.84 ITGB3 (0.51) ITGB3ITGAVITGB5CACNA1BITGB1
SCHEMBL20982086 0.84 ITGB3 (0.51) ITGB3ITGAVITGB5CACNA1BITGB1
SCHEMBL278805 0.80 ITGB3 (0.46) KRASITGB3ITGAVITGB5CACNA1B
SCHEMBL25474210 0.79 MC4R (0.55) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL19605464 0.79 MC4R (0.55) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL9448577 0.78 TPSAB1 (0.46) ITGB3ITGAVITGB5
SCHEMBL9448586 0.78 TPSAB1 (0.46) ITGB3ITGAVITGB5

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 KRAS 3545/4885ITGB3 1/4885ITGAV 2/4885

“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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