SCHEMBL22923293

SCHEMBL22923293

COC(=O)[C@H](CCCCCCCc1ccc2c(n1)NCCC2)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 19/20 0.71
ITGB6 P18564 10/20 0.71
ITGB3 P05106 9/20 0.67
ITGB1 P05556 5/20 0.67
ITGA4 P13612 1/20 0.67
ITGA5 P08648 4/20 0.66

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
SCHEMBL19953743 0.91 ITGAV (0.83) ITGAVITGB6ITGB3ITGB1ITGA4
SCHEMBL19953744 0.91 ITGAV (0.83) ITGAVITGB6ITGB3ITGB1ITGA4
SCHEMBL20025209 0.88 ITGAV (0.59) ITGAVITGB6ITGB3ITGB1ITGA4
SCHEMBL20025205 0.88 ITGAV (0.65) ITGAVITGB6ITGB3ITGB1ITGA4
SCHEMBL20025193 0.87 ITGAV (0.66) ITGAVITGB6ITGB3ITGB1ITGA4
SCHEMBL4067993 0.86 ITGB1 (0.72) ITGAVITGB6ITGB3ITGB1ITGA4
SCHEMBL20024934 0.85 ITGAV (0.66) ITGAVITGB6ITGB3ITGB1ITGA4
SCHEMBL4252196 0.85 ITGB1 (0.71) ITGAVITGB6ITGB3ITGB1ITGA4
SCHEMBL21825952 0.83 ITGAV (1.00) ITGAVITGB6ITGB3ITGB1ITGA4
SCHEMBL21825709 0.83 ITGAV (1.00) ITGAVITGB6ITGB3ITGB1ITGA4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2023-11-16 US disclosed
US-11673887-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
US-20210024516-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2021-01-28 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 (3 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-11673887-B2 N-acyl amino acid compounds and methods of use ITGA1, ITGB1, ITGAL ITGAV 4/4885ITGB6 17/4885ITGB3 9/4885
US-20210024516-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL ITGAV 4/4885ITGB6 17/4885ITGB3 9/4885
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL ITGAV 4/4885ITGB6 17/4885ITGB3 9/4885

“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.