SCHEMBL19940184

SCHEMBL19940184

[N-]=[N+]=Nc1ccc(C(=O)NCCCC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)O)NC(=O)NC(=O)[C@H](CCCNC(=N)N)NC2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 5/20 0.41
▸ ITGAV P06756 5/20 0.41
▸ ITGA2B P08514 3/20 0.41
▸ ITGB5 P18084 3/20 0.41
▸ ITGB6 P18564 3/20 0.41
▸ ITGB1 P05556 1/20 0.40
▸ ITGA5 P08648 1/20 0.40
▸ TPSAB1 Q15661 4/20 0.39
▸ ERBB2 P04626 1/20 0.38
▸ AVPR1B P47901 1/20 0.38
▸ MC4R P32245 6/20 0.38
▸ MC5R P33032 6/20 0.38
▸ MC3R P41968 6/20 0.38
▸ MC1R Q01726 6/20 0.38
▸ CXCR4 P61073 1/20 0.37
▸ ALB P02768 1/20 0.37
▸ PRKACA P17612 1/20 0.36
▸ PRKACG P22612 1/20 0.36
▸ PRKACB P22694 1/20 0.36

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
SCHEMBL21524973 0.89 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL21348134 0.88 ITGB3 (0.44) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL19939614 0.88 ITGB3 (0.44) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL19102258 0.81 ITGB3 (0.46) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL16508329 0.81 ITGB3 (0.46) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL22793231 0.80 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL19940190 0.79 ITGB3 (0.37) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL21524963 0.79 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL21524962 0.78 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL21524976 0.78 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB5ITGB1

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-20220106356-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES FORSCHUNGSVERBUND BERLIN EV (DE) 2022-04-07 — — US disclosed
WO-2018041985-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES FORSCHUNGSVERBUND BERLIN E.V. (DE) 2018-03-08 — — WO 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-20220106356-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES PFAS, PHOSPHO1, PNKP ITGB3 408/4885ITGAV 60/4885ITGA2B 364/4885

“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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