SCHEMBL21582272

SCHEMBL21582272

CC(C)c1ccccc1C1(C(=O)O)CNC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 15/20 0.52
CYP3A4 P08684 7/20 0.52
AKR1C1 Q04828 1/20 0.40
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL29813497 1.00 LPAR1 (0.52) LPAR1CYP3A4AKR1C1LMNAKMT2A
Hydrochloric Acid SCHEMBL21582553 0.98 LPAR1 (0.51) LPAR1CYP3A4AKR1C1LMNAKMT2A
Hydrochloric Acid SCHEMBL29813329 0.98 LPAR1 (0.51) LPAR1CYP3A4AKR1C1LMNAKMT2A
SCHEMBL23721588 0.86 LPAR1 (0.51) LPAR1CYP3A4GABRA1GABRB2
SCHEMBL30844690 0.86 LPAR1 (0.51) LPAR1CYP3A4GABRA1GABRB2
SCHEMBL21582362 0.84 LPAR1 (0.54) LPAR1CYP3A4AKR1C1
SCHEMBL30844788 0.84 LPAR1 (0.54) LPAR1CYP3A4AKR1C1
Hydrochloric Acid SCHEMBL30844853 0.84 LPAR1 (0.50) LPAR1CYP3A4GABRA1GABRB2
SCHEMBL25001523 0.82 LPAR1 (0.41) LPAR1CYP3A4AKR1C1LMNAKMT2A
SCHEMBL30168354 0.82 LPAR1 (0.41) LPAR1CYP3A4AKR1C1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12539294-B2 Combination of an azetidine LPA1 receptor antagonist with pirfenidone and/or nintedanib for use in the treatment of fibrotic diseases IDORSIA PHARMACEUTICALS LTD (CH) 2026-02-03 US disclosed
US-12479820-B2 Pyridin-3-yl derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2025-11-25 US disclosed
US-12344597-B2 Alkoxy-substituted pyridinyl derivatives as LPA1 receptor antagonists and their use in the treatment of fibrosis IDORSIA PHARMACEUTICALS LTD (CH) 2025-07-01 US disclosed
CN-114026082-B Pyridin-3-yl derivatives 爱杜西亚药品有限公司 2024-06-07 CN disclosed
CN-112236424-B Alkoxy-substituted pyridinyl derivatives 爱杜西亚药品有限公司 2024-03-15 CN disclosed
US-20230000846-A1 COMBINATION OF AN AZETIDINE LPA1 RECEPTOR ANTAGONIST WITH PIRFENIDONE AND/OR NINTEDANIB FOR USE IN THE TREATMENT OF FIBROTIC DISEASES IDORSIA PHARMACEUTICALS LTD (CH) 2023-01-05 US disclosed
EP-3802517-B1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS IDORSIA PHARMACEUTICALS LTD (CH) 2022-12-21 EP disclosed
EP-4069227-A1 COMBINATION OF AN AZETIDINE LPA1 RECEPTOR ANTAGONIST WITH PIRFENIDONE AND/OR NINTEDANIB FOR USE IN THE TREATMENT OF FIBROTIC DISEASES Idorsia Pharmaceuticals Ltd (CH) 2022-10-12 EP disclosed
US-20220251068-A1 PYRIDIN-3-YL DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2022-08-11 US disclosed
CN-114761001-A Combination of azetidine LPA1 receptor antagonists with anti-fibrotic agents 爱杜西亚药品有限公司 2022-07-15 CN disclosed
EP-3986884-A1 PYRIDIN-3-YL DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2022-04-27 EP disclosed
CN-114026082-A Pyridin-3-yl derivatives 爱杜西亚药品有限公司 2022-02-08 CN disclosed
US-20210246116-A1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-12 US disclosed
WO-2021110805-A1 COMBINATION OF AN AZETIDINE LPA1 RECEPTOR ANTAGONIST WITH PIRFENIDONE AND/OR NINTEDANIB FOR USE IN THE TREATMENT OF FIBROTIC DISEASES IDORSIA PHARMACEUTICALS LTD (CH) 2021-06-10 WO disclosed
EP-3802517-A1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS Idorsia Pharmaceuticals Ltd (CH) 2021-04-14 EP disclosed
CN-112236424-A Alkoxy-substituted pyridyl derivatives 爱杜西亚药品有限公司 2021-01-15 CN disclosed
WO-2020254408-A1 PYRIDIN-3-YL DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-24 WO disclosed
WO-2019234115-A1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS IDORSIA PHARMACEUTICALS LTD (CH) 2019-12-12 WO 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-12344597-B2 Alkoxy-substituted pyridinyl derivatives as LPA1 receptor antagonists and their use in the treatment of fibrosis LPAR1, LPAR3, LPAR2 LPAR1 1/4885CYP3A4 2430/4885AKR1C1 329/4885
US-12539294-B2 Combination of an azetidine LPA1 receptor antagonist with pirfenidone and/or nintedanib for use in the treatment of fibrotic diseases LPAR2, LPAR1, LPAR3 LPAR1 2/4885CYP3A4 4443/4885AKR1C1 1862/4885
US-20230000846-A1 COMBINATION OF AN AZETIDINE LPA1 RECEPTOR ANTAGONIST WITH PIRFENIDONE AND/OR NINTEDANIB FOR USE IN THE TREATMENT OF FIBROTIC DISEASES LPAR1, LPAR2, LPAR3 LPAR1 1/4885CYP3A4 4452/4885AKR1C1 656/4885
US-20220251068-A1 PYRIDIN-3-YL DERIVATIVES LPAR1, LPAR3, LPAR2 LPAR1 1/4885CYP3A4 1290/4885AKR1C1 395/4885
US-20210246116-A1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS LPAR1, LPAR3, LPAR2 LPAR1 1/4885CYP3A4 2430/4885AKR1C1 329/4885
US-12479820-B2 Pyridin-3-yl derivatives LPAR1, LPAR3, LPAR2 LPAR1 1/4885CYP3A4 1290/4885AKR1C1 395/4885

“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.