SCHEMBL20024902

SCHEMBL20024902

O=C(N[C@@H](Cc1ccc(OCCCc2ccc3c(n2)NCCC3)cc1)C(=O)O)c1c(Cl)cncc1Cl

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 18/20 0.80
ITGB3 P05106 11/20 0.80
ITGB1 P05556 10/20 0.80
ITGA5 P08648 9/20 0.80
ITGB6 P18564 8/20 0.72
ITGA4 P13612 1/20 0.57
ITGA2B P08514 1/20 0.53
ITGB5 P18084 1/20 0.53

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
SCHEMBL21812287 1.00 ITGAV (0.80) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20025167 1.00 ITGAV (0.80) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL4207191 0.96 ITGAV (0.87) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20024858 0.93 ITGAV (0.92) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20025135 0.93 ITGAV (0.92) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL19953707 0.90 ITGAV (0.77) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL19953706 0.90 ITGAV (0.77) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL4241327 0.89 ITGAV (1.00) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20025189 0.89 ITGAV (0.70) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20024830 0.89 ITGAV (0.70) ITGAVITGB3ITGB1ITGA5ITGB6

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 7 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-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-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
US-10604520-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2020-03-31 US disclosed
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2018-04-05 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 (5 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-10604520-B2 N-acyl amino acid compounds and methods of use ITGA1, ITGB1, ITGAL ITGAV 4/4885ITGB3 9/4885ITGB1 2/4885
US-11673887-B2 N-acyl amino acid compounds and methods of use ITGA1, ITGB1, ITGAL ITGAV 4/4885ITGB3 9/4885ITGB1 2/4885
US-20210024516-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL ITGAV 4/4885ITGB3 9/4885ITGB1 2/4885
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL ITGAV 4/4885ITGB3 9/4885ITGB1 2/4885
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL ITGAV 4/4885ITGB3 9/4885ITGB1 2/4885

“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.