SCHEMBL23802909

SCHEMBL23802909

CC[C@H]1CN(CC(=O)O)[C@@H](CC)CN(CC(=O)NCCCC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC2=O)[C@@H](CC)CN(CC(=O)O)[C@@H](CC)CN1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 11/20 0.51
▸ ITGAV P06756 9/20 0.51
▸ ITGA5 P08648 5/20 0.51
▸ ITGB1 P05556 3/20 0.51
▸ MC4R P32245 9/20 0.49
▸ MC5R P33032 9/20 0.49
▸ MC3R P41968 9/20 0.49
▸ MC1R Q01726 9/20 0.49
▸ ITGB5 P18084 5/20 0.47
▸ ITGA2B P08514 2/20 0.46
▸ ITGB6 P18564 1/20 0.46
▸ ITGB8 P26012 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
SCHEMBL23802740 0.95 ITGB3 (0.47) ITGB3ITGAVITGA5ITGB1MC4R
SCHEMBL23802907 0.90 ITGB3 (0.46) ITGB3ITGAVITGA5ITGB1MC4R
SCHEMBL19605457 0.88 ITGB3 (0.57) ITGB3ITGAVITGA5ITGB1MC4R
SCHEMBL24253307 0.88 ITGB3 (0.57) ITGB3ITGAVITGA5ITGB1MC4R
SCHEMBL10138534 0.86 ITGB3 (0.60) ITGB3ITGAVITGA5ITGB1MC4R
SCHEMBL15397366 0.86 ITGB3 (0.60) ITGB3ITGAVITGA5ITGB1MC4R
SCHEMBL14585808 0.86 MC4R (0.57) ITGB3ITGAVITGA5ITGB1MC4R
SCHEMBL19605463 0.86 MC4R (0.57) ITGB3ITGAVITGA5ITGB1MC4R
SCHEMBL21766911 0.85 ITGB3 (0.58) ITGB3ITGAVITGA5ITGB1MC4R
SCHEMBL20888358 0.85 ITGB3 (0.58) ITGB3ITGAVITGA5ITGB1MC4R

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 3183/4885ITGA5 3176/4885
US-20210283278-A1 CHIRAL CYCLEN COMPOUNDS AND THEIR USES DCTN3, DCTN1, CDK3 ITGB3 1516/4885ITGAV 3183/4885ITGA5 3176/4885

“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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