SCHEMBL15308349

SCHEMBL15308349

CCCCC(=O)NCCCC[C@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 7/20 0.53
▸ ITGAV P06756 2/20 0.53
▸ ITGB1 P05556 1/20 0.53
▸ ITGA5 P08648 1/20 0.53
▸ MC4R P32245 9/20 0.52
▸ MC5R P33032 9/20 0.52
▸ MC3R P41968 9/20 0.52
▸ MC1R Q01726 9/20 0.52
▸ ITGA2B P08514 5/20 0.51
▸ ITGB5 P18084 1/20 0.51
▸ CXCR4 P61073 1/20 0.51
▸ CACNA1B Q00975 1/20 0.50
▸ CTSG P08311 1/20 0.47
▸ PLAU P00749 1/20 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
SCHEMBL21440742 0.96 ITGB3 (0.52) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL16152202 0.94 ITGB3 (0.55) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL17612703 0.93 MC4R (0.56) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL21440744 0.92 ITGB3 (0.51) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL24285405 0.92 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL18132947 0.92 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL29393726 0.91 ITGB3 (0.59) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL23823920 0.90 CACNA1B (0.53) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL15397366 0.90 ITGB3 (0.60) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL10138534 0.90 ITGB3 (0.60) ITGB3ITGAVITGB1ITGA5MC4R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130266512-A1 Tetrazine-trans-cyclooctene Ligation for the Rapid Construction of Radionuclide Labeled Probes UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-10-10 — — 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-20130266512-A1 Tetrazine-trans-cyclooctene Ligation for the Rapid Construction of Radionuclide Labeled Probes TTL, TALDO1, TTI1 ITGB3 2868/4885ITGAV 2907/4885ITGB1 2056/4885

“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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