SCHEMBL21852991

SCHEMBL21852991

COC(=O)[C@@H](N)CCCCCCCc1ccc2c(n1)NCCC2

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.61
ITGB6 P18564 5/20 0.61
ITGB3 P05106 15/20 0.59

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
SCHEMBL21852990 1.00 ITGAV (0.61) ITGAVITGB6ITGB3
SCHEMBL24683292 1.00 ITGAV (0.61) ITGAVITGB6ITGB3
SCHEMBL29813809 1.00 ITGAV (0.61) ITGAVITGB6ITGB3
SCHEMBL29813942 1.00 ITGAV (0.61) ITGAVITGB6ITGB3
Hydrochloric Acid SCHEMBL21853185 0.99 ITGAV (0.61) ITGAVITGB6ITGB3
Hydrochloric Acid SCHEMBL29813947 0.99 ITGAV (0.61) ITGAVITGB6ITGB3
Hydrochloric Acid SCHEMBL21853184 0.99 ITGAV (0.61) ITGAVITGB6ITGB3
Hydrochloric Acid SCHEMBL29814042 0.99 ITGAV (0.61) ITGAVITGB6ITGB3
SCHEMBL21937992 0.91 ITGAV (0.58) ITGAVITGB6ITGB3
SCHEMBL20025016 0.91 ITGAV (0.58) ITGAVITGB6ITGB3

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
US-20240294520-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2024-09-05 US disclosed
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2024-01-02 US disclosed
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2024-01-02 US disclosed
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2024-01-02 US disclosed
US-20230055657-A1 COMBINATION TREATMENT OF LIVER DISEASES USING INTEGRIN INHIBITORS PLIANT THERAPEUTICS, INC. 2023-02-23 US disclosed
US-20220289743-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-09-15 US disclosed
US-11396506-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2022-07-26 US disclosed
US-11396506-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2022-07-26 US disclosed
WO-2021127466-A1 COMBINATION TREATMENT OF LIVER DISEASES USING INTEGRIN INHIBITORS NOVARTIS AG (CH) 2021-06-24 WO disclosed
WO-2021127483-A1 COMBINATION TREATMENT OF LIVER DISEASES USING INTEGRIN INHIBITORS NOVARTIS AG (CH) 2021-06-24 WO disclosed
EP-3813818-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2021-05-05 EP disclosed
US-20200123151-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-23 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 (6 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-11396506-B2 Amino acid compounds with unbranched linkers and methods of use ITGA2B, ITGB6, ITGB1 ITGAV 8/4885ITGB6 2/4885ITGB3 11/4885
US-20200123151-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE ITGA2B, ITGB6, ITGB1 ITGAV 8/4885ITGB6 2/4885ITGB3 11/4885
US-20240294520-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE ITGA2B, ITGB6, ITGB1 ITGAV 8/4885ITGB6 2/4885ITGB3 11/4885
US-20230055657-A1 COMBINATION TREATMENT OF LIVER DISEASES USING INTEGRIN INHIBITORS NR1H4, ITGA1, ITGA4 ITGAV 10/4885ITGB6 16/4885ITGB3 14/4885
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use ITGA2B, ITGB6, ITGB1 ITGAV 8/4885ITGB6 2/4885ITGB3 11/4885
US-20220289743-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE ITGA2B, ITGB6, ITGB1 ITGAV 8/4885ITGB6 2/4885ITGB3 11/4885

“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.