SCHEMBL21440744

SCHEMBL21440744

CC(C)(C)CCCC(=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 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 9/20 0.51
▸ ITGAV P06756 4/20 0.51
▸ ITGB1 P05556 1/20 0.51
▸ ITGA5 P08648 1/20 0.51
▸ ITGA2B P08514 5/20 0.49
▸ CXCR4 P61073 1/20 0.49
▸ ITGB5 P18084 1/20 0.49
▸ CACNA1B Q00975 1/20 0.48
▸ CTSG P08311 2/20 0.46
▸ MC4R P32245 5/20 0.46
▸ MC5R P33032 5/20 0.46
▸ MC3R P41968 5/20 0.46
▸ MC1R Q01726 5/20 0.46
▸ PLAU P00749 1/20 0.46
▸ KDM4A O75164 1/20 0.45

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
SCHEMBL24016442 0.94 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL15308349 0.92 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL21440742 0.91 ITGB3 (0.52) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL18132947 0.90 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL24285405 0.90 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL24016424 0.89 ITGB3 (0.52) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL29393726 0.89 ITGB3 (0.59) ITGB3ITGAVITGA2BCXCR4ITGB5
SCHEMBL23823920 0.88 CACNA1B (0.53) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL19412647 0.88 ITGB3 (0.54) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL16135323 0.88 ITGB3 (0.54) ITGB3ITGAVITGB1ITGA5ITGA2B

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-10434197-B2 Tetrazine-trans-cyclooctene ligation for the rapid construction of radionuclide labeled probes UNIVERSITY OF DELAWARE (US) 2019-10-08 — — 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-10434197-B2 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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