SCHEMBL24016424

SCHEMBL24016424

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 8/20 0.52
▸ ITGA2B P08514 5/20 0.52
▸ CACNA1B Q00975 1/20 0.49
▸ ITGAV P06756 3/20 0.48
▸ CTSG P08311 1/20 0.48
▸ MC4R P32245 8/20 0.48
▸ MC5R P33032 8/20 0.48
▸ MC3R P41968 8/20 0.48
▸ MC1R Q01726 8/20 0.48
▸ ITGB1 P05556 1/20 0.47
▸ ITGA5 P08648 1/20 0.47
▸ KDM4A O75164 1/20 0.47
▸ ITGB5 P18084 1/20 0.47
▸ PLAU P00749 1/20 0.46

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
SCHEMBL29393726 0.92 ITGB3 (0.59) ITGB3ITGA2BCACNA1BITGAVCTSG
SCHEMBL24016442 0.92 ITGB3 (0.53) ITGB3ITGA2BCACNA1BITGAVCTSG
SCHEMBL16135323 0.91 ITGB3 (0.54) ITGB3ITGA2BCACNA1BITGAVCTSG
SCHEMBL19412647 0.91 ITGB3 (0.54) ITGB3ITGA2BCACNA1BITGAVCTSG
SCHEMBL15160074 0.91 ITGB3 (0.54) ITGB3ITGA2BCACNA1BITGAVCTSG
SCHEMBL16301538 0.91 ITGB3 (0.55) ITGB3ITGA2BCACNA1BITGAVCTSG
SCHEMBL16152202 0.91 ITGB3 (0.55) ITGB3ITGA2BCACNA1BITGAVCTSG
SCHEMBL16135240 0.90 ITGB3 (0.54) ITGB3ITGA2BCACNA1BITGAVCTSG
SCHEMBL24454392 0.90 ITGB3 (0.56) ITGB3ITGA2BCACNA1BITGAVCTSG
SCHEMBL23839922 0.90 ITGB3 (0.56) ITGB3ITGA2BCACNA1BITGAVCTSG

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-20210347709-A1 RADIOFLUORINATED GPC3-BINDING PEPTIDES FOR PET IMAGING OF HEPATOCELLULAR CARCINOMA UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2021-11-11 — — 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-20210347709-A1 RADIOFLUORINATED GPC3-BINDING PEPTIDES FOR PET IMAGING OF HEPATOCELLULAR CARCINOMA LGALS3BP, HDGF, LGALS3 ITGB3 57/4885ITGA2B 1301/4885CACNA1B 4245/4885

“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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