SCHEMBL21826239

SCHEMBL21826239

O=C(N[C@@H](CCOCCCCc1ccc2c(n1)NCCC2)C(=O)O)c1c(F)cccc1Cl

nearest known ligand 0.90

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 19/20 0.90
ITGB6 P18564 16/20 0.90
ITGB1 P05556 3/20 0.65
ITGB3 P05106 3/20 0.65
ITGA4 P13612 1/20 0.65
ITGA5 P08648 2/20 0.65

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
SCHEMBL21825702 1.00 ITGAV (0.90) ITGAVITGB6ITGB1ITGB3ITGA4
SCHEMBL21825709 0.95 ITGAV (1.00) ITGAVITGB6ITGB1ITGB3ITGA4
SCHEMBL21825708 0.95 ITGAV (1.00) ITGAVITGB6ITGB1ITGB3ITGA4
SCHEMBL31124981 0.95 ITGAV (1.00) ITGAVITGB6ITGB1ITGB3ITGA4
SCHEMBL21825952 0.95 ITGAV (1.00) ITGAVITGB6ITGB1ITGB3ITGA4
SCHEMBL21826085 0.90 ITGAV (0.90) ITGAVITGB6ITGB1ITGB3ITGA4
SCHEMBL21826062 0.90 ITGAV (0.78) ITGAVITGB6ITGB1ITGB3ITGA4
SCHEMBL21825903 0.90 ITGAV (0.90) ITGAVITGB6ITGB1ITGB3ITGA4
SCHEMBL21826414 0.90 ITGAV (0.90) ITGAVITGB6ITGB1ITGB3ITGA4
SCHEMBL21826058 0.90 ITGAV (0.78) ITGAVITGB6ITGB1ITGB3ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113195053-B Amino acid compounds and methods of use 普利安特治疗公司 2024-08-30 CN claimed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 US claimed
CN-113195053-B Amino acid compounds and methods of use 普利安特治疗公司 2024-08-30 CN disclosed
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2024-08-15 US disclosed
US-11952376-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2024-04-09 US disclosed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
CN-113195053-A Amino acid compounds and methods of use 普利安特治疗公司 2021-07-30 CN disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 US disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL ITGAV 6/4885ITGB6 1/4885ITGB1 4/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL ITGAV 6/4885ITGB6 1/4885ITGB1 4/4885
US-11952376-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 ITGAV 4/4885ITGB6 1/4885ITGB1 3/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 ITGAV 4/4885ITGB6 1/4885ITGB1 3/4885
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS ITGB6, ITGA1, ITGB1 ITGAV 4/4885ITGB6 1/4885ITGB1 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.