SCHEMBL23823921

SCHEMBL23823921

CC(C)CC(=O)NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 12/20 0.56
▸ ITGAV P06756 9/20 0.56
▸ ITGB1 P05556 2/20 0.56
▸ ITGA5 P08648 2/20 0.56
▸ ITGB5 P18084 5/20 0.53
▸ MC4R P32245 8/20 0.52
▸ MC5R P33032 8/20 0.52
▸ MC3R P41968 8/20 0.52
▸ MC1R Q01726 8/20 0.52
▸ ITGA2B P08514 3/20 0.51

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
SCHEMBL24253294 1.00 ITGB3 (0.56) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL20822613 1.00 ITGB3 (0.56) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL23823920 0.94 CACNA1B (0.53) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL24253223 0.93 ITGB3 (0.58) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL24253222 0.93 ITGB3 (0.58) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL22970200 0.92 ITGB3 (0.56) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL21577745 0.92 ITGB3 (0.56) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL19605457 0.92 ITGB3 (0.57) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL24253307 0.92 ITGB3 (0.57) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL21766911 0.91 ITGB3 (0.58) ITGB3ITGAVITGB1ITGA5ITGB5

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-11357873-B2 Chiral cyclen compounds and their uses THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2022-06-14 — — US disclosed
US-20210283278-A1 CHIRAL CYCLEN COMPOUNDS AND THEIR USES THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2021-09-16 — — 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-11357873-B2 Chiral cyclen compounds and their uses DCTN3, DCTN1, CDK3 ITGB3 1516/4885ITGAV 3183/4885ITGB1 2793/4885
US-20210283278-A1 CHIRAL CYCLEN COMPOUNDS AND THEIR USES DCTN3, DCTN1, CDK3 ITGB3 1516/4885ITGAV 3183/4885ITGB1 2793/4885

“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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