SCHEMBL24271699

SCHEMBL24271699

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 10/20 0.38
▸ MC5R P33032 10/20 0.38
▸ MC3R P41968 10/20 0.38
▸ MC1R Q01726 10/20 0.38
▸ ITGB3 P05106 5/20 0.37
▸ ITGAV P06756 5/20 0.37
▸ ITGB1 P05556 2/20 0.37
▸ ITGA5 P08648 2/20 0.37
▸ FURIN P09958 1/20 0.35
▸ ITGB5 P18084 2/20 0.35
▸ TSLP Q969D9 2/20 0.34
▸ CTSG P08311 1/20 0.34
▸ KEAP1 Q14145 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34

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
SCHEMBL21524983 0.92 ITGB3 (0.46) MC4RMC5RMC3RMC1RITGB3
SCHEMBL19940190 0.90 ITGB3 (0.37) MC4RMC5RMC3RMC1RITGB3
SCHEMBL23966178 0.87 MC4R (0.40) MC4RMC5RMC3RMC1RITGB3
SCHEMBL24271698 0.84 ITGB3 (0.44) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL26220061 0.82 ITGB3 (0.47) MC4RMC5RMC3RMC1RITGB3
SCHEMBL21524963 0.76 ITGB3 (0.54) MC4RMC5RMC3RMC1RITGB3
SCHEMBL26220055 0.76 ITGB3 (0.52) MC4RMC5RMC3RMC1RITGB3
SCHEMBL21524976 0.75 ITGB3 (0.52) MC4RMC5RMC3RMC1RITGB3
SCHEMBL21524962 0.75 ITGB3 (0.52) MC4RMC5RMC3RMC1RITGB3
SCHEMBL21348134 0.73 ITGB3 (0.44) MC4RMC5RMC3RMC1RITGB3

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-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

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-20220106356-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES PFAS, PHOSPHO1, PNKP MC4R 4522/4885MC5R 4303/4885MC3R 4480/4885
US-11746124-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates PFAS, PHOSPHO1, PNKP MC4R 4522/4885MC5R 4303/4885MC3R 4480/4885

“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.

Send feedback