SCHEMBL19953676

SCHEMBL19953676

O=C(NC(Cc1ccc(OCCCc2ccc3c(n2)NCCC3)cc1)C(=O)O)c1ccc2[nH]ncc2c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 19/20 0.62
ITGB3 P05106 7/20 0.62
ITGA5 P08648 4/20 0.62
ITGB1 P05556 3/20 0.62
ITGB6 P18564 13/20 0.53
ITGA2B P08514 1/20 0.50
ITGB5 P18084 1/20 0.50

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
SCHEMBL19953675 1.00 ITGAV (0.62) ITGAVITGB3ITGA5ITGB1ITGB6
SCHEMBL20025187 0.94 ITGAV (0.62) ITGAVITGB3ITGA5ITGB1ITGB6
SCHEMBL30449533 0.94 ITGAV (0.62) ITGAVITGB3ITGA5ITGB1ITGB6
SCHEMBL20024876 0.94 ITGAV (0.62) ITGAVITGB3ITGA5ITGB1ITGB6
SCHEMBL19953598 0.86 ITGAV (0.73) ITGAVITGB3ITGA5ITGB1ITGB6
SCHEMBL19953599 0.86 ITGAV (0.73) ITGAVITGB3ITGA5ITGB1ITGB6
SCHEMBL19953674 0.86 ITGAV (0.65) ITGAVITGB3ITGA5ITGB1ITGB6
SCHEMBL19953673 0.86 ITGAV (0.65) ITGAVITGB3ITGA5ITGB1ITGB6
SCHEMBL30449468 0.86 ITGAV (0.65) ITGAVITGB3ITGA5ITGB1ITGB6
SCHEMBL21812281 0.86 ITGAV (0.70) ITGAVITGB3ITGA5ITGB1ITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10604520-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2020-03-31 US claimed
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-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-10604520-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2020-03-31 US disclosed
EP-3509590-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2019-07-17 EP disclosed
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2018-04-05 US disclosed
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2018-04-05 US disclosed
WO-2018049068-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2018-03-15 WO 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 9/4885ITGA5 6/4885
US-11673887-B2 N-acyl amino acid compounds and methods of use ITGA1, ITGB1, ITGAL ITGAV 4/4885ITGB3 9/4885ITGA5 6/4885
US-20210024516-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL ITGAV 4/4885ITGB3 9/4885ITGA5 6/4885
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL ITGAV 4/4885ITGB3 9/4885ITGA5 6/4885
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL ITGAV 4/4885ITGB3 9/4885ITGA5 6/4885

“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.