SCHEMBL24960697

SCHEMBL24960697

COC(=O)[C@@H](N)CCN(CCCCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2)CC(=O)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 19/20 0.42
ITGB6 P18564 18/20 0.42
ITGA5 P08648 16/20 0.42
MPO P05164 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGB5 P18084 1/20 0.31

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
SCHEMBL22645202 0.90 ITGAV (0.40) ITGAVITGB6ITGA5
SCHEMBL21328984 0.85 ITGAV (0.43) ITGAVITGB6ITGA5ITGB3
SCHEMBL21328983 0.85 ITGAV (0.43) ITGAVITGB6ITGA5ITGB3
SCHEMBL25636389 0.81 ITGAV (0.39) ITGAVITGB6ITGA5
SCHEMBL20021726 0.79 PPARG (0.42) ITGAVITGB6ITGA5MPOITGB3
SCHEMBL24908842 0.78 ITGAV (0.62) ITGAVITGB6ITGA5ITGB3ITGB5
SCHEMBL21328931 0.78 ALDH1A1 (0.35) ITGAVITGB6MPO
SCHEMBL21317504 0.77 MPO (0.39) ITGAVITGB6MPO
SCHEMBL26462061 0.77 MPO (0.38) ITGAVITGB6MPO
SCHEMBL21340267 0.76 MPO (0.35) ITGAVITGB6ITGA5MPOITGB3

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-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-08-31 US disclosed
US-11560376-B2 Amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-01-24 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-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 ITGAV 4/4885ITGB6 1/4885ITGA5 3/4885
US-11560376-B2 Amino acid compounds and methods of use ITGB6, ITGA6, ITGA5 ITGAV 4/4885ITGB6 1/4885ITGA5 3/4885

“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.