SCHEMBL278647

SCHEMBL278647

C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.46
▸ ITGB3 P05106 3/20 0.45
▸ ITGAV P06756 3/20 0.45
▸ ITGB5 P18084 3/20 0.45
▸ ITGB1 P05556 1/20 0.45
▸ ITGA5 P08648 1/20 0.45
▸ ITGA2B P08514 2/20 0.45
▸ ITGB6 P18564 2/20 0.45
▸ PIN1 Q13526 5/20 0.43
▸ KRAS P01116 1/20 0.43
▸ MC4R P32245 6/20 0.43
▸ MC5R P33032 6/20 0.43
▸ MC3R P41968 6/20 0.43
▸ MC1R Q01726 6/20 0.43
▸ HDAC3 O15379 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC10 Q969S8 2/20 0.43
▸ HDAC11 Q96DB2 2/20 0.43
▸ GNAI1 P63096 1/20 0.43

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
SCHEMBL278941 0.93 CACNA1B (0.51) CACNA1BITGB3ITGAVITGB5ITGB1
SCHEMBL278805 0.91 ITGB3 (0.46) CACNA1BITGB3ITGAVITGB5ITGB1
SCHEMBL278808 0.89 KRAS (0.45) CACNA1BITGB3ITGAVITGB5ITGB1
SCHEMBL29568658 0.88 GHSR (0.42) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL29569694 0.88 GHSR (0.42) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL29568807 0.88 GHSR (0.42) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL25474210 0.88 MC4R (0.55) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL19605464 0.88 MC4R (0.55) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL12808284 0.87 ITGB3 (0.55) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL19605481 0.87 ITGB3 (0.55) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3507335-B1 POLYMER COATINGS COMMW SCIENT IND RES ORG (AU) 2022-03-30 — — EP 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-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 1815/4885ITGB3 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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