SCHEMBL20021726

SCHEMBL20021726

COC(=O)[C@@H](N)Cc1ccc(OCCCc2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.42
PPARD Q03181 5/20 0.42
PPARA Q07869 3/20 0.42
PTGS2 P35354 1/20 0.40
MPO P05164 1/20 0.37
YAP1 P46937 1/20 0.36
ITGAV P06756 5/20 0.36
ITGB3 P05106 4/20 0.36
ITGB6 P18564 2/20 0.36
ITGA2B P08514 1/20 0.36
ITGB5 P18084 1/20 0.36
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
ITGB1 P05556 2/20 0.35
ITGA5 P08648 2/20 0.35

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
SCHEMBL19953633 0.89 PPARG (0.47) PPARGPPARDPPARAPTGS2ITGAV
SCHEMBL19953632 0.89 PPARG (0.47) PPARGPPARDPPARAPTGS2ITGAV
SCHEMBL20025227 0.88 MPO (0.37) PPARGPPARDPPARAPTGS2MPO
SCHEMBL20025319 0.87 ITGB3 (0.46) PPARGYAP1ITGAVITGB3ITGB6
SCHEMBL25692975 0.85 ITGB3 (0.49) YAP1ITGB3ITGA2B
SCHEMBL22923259 0.84 YAP1 (0.44) PPARGPPARDYAP1ITGB3ITGA2B
SCHEMBL4244400 0.81 ITGB1 (0.56) ITGAVITGB3ITGB1ITGA5
SCHEMBL20025318 0.81 PPARG (0.36) PPARGPPARDPPARAPTGS2YAP1
SCHEMBL24960697 0.79 ITGAV (0.42) MPOITGAVITGB3ITGB6ITGB5
SCHEMBL22645202 0.79 ITGAV (0.40) ITGAVITGB6ITGA5

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 10 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-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-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
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 PPARG 2931/4885PPARD 3421/4885PPARA 1671/4885
US-11673887-B2 N-acyl amino acid compounds and methods of use ITGA1, ITGB1, ITGAL PPARG 2931/4885PPARD 3421/4885PPARA 1671/4885
US-20210024516-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL PPARG 2931/4885PPARD 3421/4885PPARA 1671/4885
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL PPARG 2931/4885PPARD 3421/4885PPARA 1671/4885
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL PPARG 2931/4885PPARD 3421/4885PPARA 1671/4885

“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.