SCHEMBL15308347

SCHEMBL15308347

N=C(N)NCCC[C@H]1NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCCN)NC1=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 10/20 0.56
▸ ITGA2B P08514 7/20 0.56
▸ CACNA1B Q00975 1/20 0.56
▸ ITGAV P06756 3/20 0.49
▸ ITGB5 P18084 2/20 0.49
▸ ITGB1 P05556 2/20 0.49
▸ ITGA5 P08648 2/20 0.49
▸ CTSG P08311 1/20 0.49
▸ MC4R P32245 4/20 0.49
▸ MC5R P33032 4/20 0.49
▸ MC3R P41968 4/20 0.49
▸ MC1R Q01726 4/20 0.49
▸ CD2 P06729 1/20 0.48
▸ CD58 P19256 1/20 0.48
▸ GNAI1 P63096 1/20 0.48
▸ CXCR4 P61073 1/20 0.48
▸ KDM4A O75164 1/20 0.48

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
SCHEMBL7746029 1.00 ITGB3 (0.56) ITGB3ITGA2BCACNA1BITGAVITGB5
SCHEMBL19018807 1.00 ITGB3 (0.56) ITGB3ITGA2BCACNA1BITGAVITGB5
SCHEMBL24454392 1.00 ITGB3 (0.56) ITGB3ITGA2BCACNA1BITGAVITGB5
SCHEMBL23839922 1.00 ITGB3 (0.56) ITGB3ITGA2BCACNA1BITGAVITGB5
SCHEMBL29393726 0.96 ITGB3 (0.59) ITGB3ITGA2BCACNA1BITGAVITGB5
SCHEMBL7743533 0.93 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL7743878 0.93 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL19605481 0.93 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL21475019 0.93 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL13107808 0.93 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5ITGB1

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 2 patents. 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
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 (2 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 2868/4885ITGA2B 2932/4885CACNA1B 4448/4885
US-20130266512-A1 Tetrazine-trans-cyclooctene Ligation for the Rapid Construction of Radionuclide Labeled Probes TTL, TALDO1, TTI1 ITGB3 2868/4885ITGA2B 2932/4885CACNA1B 4448/4885

“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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