SCHEMBL13481626

SCHEMBL13481626

[N-]=[N+]=NCC(=O)NCCOCCOCCOCCOCCC(=O)N(CCC(=O)NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1=O)CCC(=O)NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1=O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 16/20 0.59
▸ ITGAV P06756 12/20 0.59
▸ ITGB1 P05556 2/20 0.59
▸ ITGA5 P08648 2/20 0.59
▸ ITGB5 P18084 6/20 0.51
▸ MC4R P32245 3/20 0.50
▸ MC5R P33032 3/20 0.50
▸ MC3R P41968 3/20 0.50
▸ MC1R Q01726 3/20 0.50
▸ KEAP1 Q14145 1/20 0.46
▸ NFE2L2 Q16236 1/20 0.46
▸ ITGA2B P08514 4/20 0.44

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
SCHEMBL8205616 1.00 ITGB3 (0.59) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14075704 0.92 ITGB3 (0.51) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL278822 0.91 ITGB3 (0.47) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL13918138 0.86 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14075695 0.86 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL13446003 0.85 ITGB3 (0.51) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL13445979 0.84 ITGB3 (0.50) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL13481604 0.84 ITGB3 (0.52) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL7744481 0.83 ITGB3 (0.64) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL279121 0.83 ITGB3 (0.64) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666392-B2 Click chemistry-derived cyclopeptide derivatives as imaging agents for integrins SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-02-23 — — US disclosed
US-7666392-B2 Click chemistry-derived cyclopeptide derivatives as imaging agents for integrins SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-02-23 — — US disclosed
US-20080170992-A1 Click chemistry-derived cyclopeptide derivatives as imaging agents for integrins SIEMENS MEDICAL SOLUTIONS USA, INC. 2008-07-17 — — US disclosed
US-20080170992-A1 Click chemistry-derived cyclopeptide derivatives as imaging agents for integrins SIEMENS MEDICAL SOLUTIONS USA, INC. 2008-07-17 — — 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 (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-20080170992-A1 Click chemistry-derived cyclopeptide derivatives as imaging agents for integrins ITGB3, VCAM1, ITGB1 ITGB3 1/4885ITGAV 5/4885ITGB1 3/4885

“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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