SCHEMBL20021718

SCHEMBL20021718

CC(C)c1ccc(OCCCc2ccc3c(n2)NCCC3)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.56
ITGAV P06756 20/20 0.56
ITGB6 P18564 10/20 0.54
ITGB5 P18084 5/20 0.54
ITGA2B P08514 1/20 0.54
ITGB1 P05556 2/20 0.52
ITGB8 P26012 1/20 0.52
ITGA5 P08648 1/20 0.49

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
SCHEMBL6224024 0.78 ITGAV (0.65) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL14655007 0.78 CXCR4 (0.51) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL19965829 0.78 ITGB3 (0.54) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6729630 0.77 ITGAV (0.59) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL27402960 0.77 ITGAV (0.62) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL13833866 0.76 ITGAV (0.56) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL30336058 0.76 ITGAV (0.56) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL22497890 0.76 ITGAV (0.55) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL19953685 0.76 ITGAV (0.75) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL21333681 0.76 ITGAV (0.52) ITGB3ITGAVITGB6ITGB5ITGA2B

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-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 (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 ITGB3 9/4885ITGAV 4/4885ITGB6 17/4885
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL ITGB3 9/4885ITGAV 4/4885ITGB6 17/4885
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL ITGB3 9/4885ITGAV 4/4885ITGB6 17/4885

“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.