SCHEMBL23823920

SCHEMBL23823920

CC(C)CC(=O)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 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.53
▸ ITGB3 P05106 10/20 0.52
▸ ITGA2B P08514 5/20 0.52
▸ ITGAV P06756 5/20 0.50
▸ CTSG P08311 2/20 0.50
▸ ITGB1 P05556 2/20 0.50
▸ ITGA5 P08648 2/20 0.50
▸ KDM4A O75164 1/20 0.49
▸ PLAU P00749 1/20 0.48
▸ ITGB5 P18084 2/20 0.48
▸ NNMT P40261 1/20 0.48
▸ MC4R P32245 4/20 0.47
▸ MC5R P33032 4/20 0.47
▸ MC3R P41968 4/20 0.47
▸ MC1R Q01726 4/20 0.47

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 0.94 ITGB3 (0.56) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL23823921 0.94 ITGB3 (0.56) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL20822613 0.94 ITGB3 (0.56) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL29393726 0.91 ITGB3 (0.59) CACNA1BITGB3ITGA2BITGAVCTSG
SCHEMBL19412647 0.91 ITGB3 (0.54) CACNA1BITGB3ITGA2BITGAVCTSG
SCHEMBL15160074 0.91 ITGB3 (0.54) CACNA1BITGB3ITGA2BITGAVCTSG
SCHEMBL16135323 0.91 ITGB3 (0.54) CACNA1BITGB3ITGA2BITGAVCTSG
SCHEMBL15308349 0.90 ITGB3 (0.53) CACNA1BITGB3ITGA2BITGAVCTSG
SCHEMBL15160075 0.90 ITGB3 (0.50) CACNA1BITGB3ITGA2BITGAVCTSG
SCHEMBL16301538 0.90 ITGB3 (0.55) CACNA1BITGB3ITGA2BITGAVCTSG

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 CACNA1B 191/4885ITGB3 1516/4885ITGA2B 2553/4885
US-20210283278-A1 CHIRAL CYCLEN COMPOUNDS AND THEIR USES DCTN3, DCTN1, CDK3 CACNA1B 191/4885ITGB3 1516/4885ITGA2B 2553/4885

“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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