SCHEMBL21524983

SCHEMBL21524983

C#CP(=O)(Nc1ccc(C(=O)NCCCC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC2=O)cc1)OCC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 10/20 0.46
▸ ITGAV P06756 8/20 0.46
▸ ITGB1 P05556 2/20 0.46
▸ ITGA5 P08648 2/20 0.46
▸ MC4R P32245 10/20 0.46
▸ MC5R P33032 10/20 0.46
▸ MC3R P41968 10/20 0.46
▸ MC1R Q01726 10/20 0.46
▸ ITGB5 P18084 5/20 0.42
▸ ITGA2B P08514 2/20 0.42

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
SCHEMBL23966178 0.96 MC4R (0.40) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL24271698 0.92 ITGB3 (0.44) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL24271699 0.92 MC4R (0.38) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL19940190 0.91 ITGB3 (0.37) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL26220061 0.91 ITGB3 (0.47) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL21524963 0.85 ITGB3 (0.54) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL26220055 0.85 ITGB3 (0.52) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL21524962 0.84 ITGB3 (0.52) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL21524976 0.84 ITGB3 (0.52) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL19605458 0.81 ITGB3 (0.58) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348529-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES FORSCHUNGSVERBUND BERLIN EV (DE) 2023-11-02 — — US disclosed
US-20230348529-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES FORSCHUNGSVERBUND BERLIN EV (DE) 2023-11-02 — — US disclosed
US-11746124-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates FORSCHUNGSVERBUND BERLIN E.V. (DE) 2023-09-05 — — US disclosed
US-11746124-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates FORSCHUNGSVERBUND BERLIN E.V. (DE) 2023-09-05 — — US disclosed
US-20220106356-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES FORSCHUNGSVERBUND BERLIN EV (DE) 2022-04-07 — — US disclosed
US-11161873-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates FORSCHUNGSVERBUND BERLIN E.V. (DE) 2021-11-02 — — US disclosed
US-20190330264-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2019-10-31 — — 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 (5 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-20220106356-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES PFAS, PHOSPHO1, PNKP ITGB3 408/4885ITGAV 60/4885ITGB1 386/4885
US-20190330264-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES PHOSPHO1, PFAS, PNKP ITGB3 452/4885ITGAV 107/4885ITGB1 479/4885
US-11161873-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates TST, PHOSPHO1, TMT1A ITGB3 843/4885ITGAV 333/4885ITGB1 832/4885
US-20230348529-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES PFAS, PHOSPHO1, PNKP ITGB3 408/4885ITGAV 60/4885ITGB1 386/4885
US-11746124-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates PFAS, PHOSPHO1, PNKP ITGB3 408/4885ITGAV 60/4885ITGB1 386/4885

“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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