SCHEMBL1012423

SCHEMBL1012423

CC(=O)C1C(=O)OC(C)(C)OC1=O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.46
PTPN1 P18031 1/20 0.33
GLA P06280 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9869052 0.84 BACE1 (0.43) BACE1PTPN1GLANPSR1ALDH1A1
SCHEMBL9533254 0.82 BACE1 (0.42) BACE1GLANPSR1ALDH1A1
SCHEMBL7436519 0.81 BACE1 (0.41) BACE1GLANPSR1ALDH1A1
SCHEMBL10530016 0.81 BACE1 (0.35) BACE1
SCHEMBL4459751 0.81 BACE1 (0.46) BACE1PTPN1GLANPSR1ALDH1A1
SCHEMBL31603 0.77 BACE1 (0.44) BACE1PTPN1GLANPSR1ALDH1A1
SCHEMBL5924541 0.77 BACE1 (0.33) BACE1ALDH1A1
SCHEMBL587175 0.77 ALDH1A1 (0.46) BACE1GLANPSR1ALDH1A1
SCHEMBL24309470 0.76 BACE1 (0.42) BACE1PTPN1GLANPSR1
SCHEMBL1403061 0.76 BACE1 (0.42) BACE1PTPN1GLANPSR1ALDH1A1

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 91 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778188-A Preparation method of alternaria tenuifolia keto acid and derivatives thereof 安徽农业大学 2021-05-11 CN claimed
EP-0194906-B1 HETEROCYCLIC DISSYMMETRIC 1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLIC-ACID ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTICAL USE FOURNIER INNOVATION ET SYNERGIE (FR) 1989-07-19 EP claimed
EP-0194906-A2 Heterocyclic dissymmetric 1,4-dihydropyridine-3,5-dicarboxylic-acid esters, process for their preparation and their therapeutical use FOURNIER INNOVATION ET SYNERGIE (FR) 1986-09-17 EP claimed
US-12037354-B2 Cyclic pantetheine derivatives and uses thereof VECTIVBIO COMET AG (CH) 2024-07-16 US disclosed
US-12037354-B2 Cyclic pantetheine derivatives and uses thereof VECTIVBIO COMET AG (CH) 2024-07-16 US disclosed
US-12037354-B2 Cyclic pantetheine derivatives and uses thereof VECTIVBIO COMET AG (CH) 2024-07-16 US disclosed
CN-113402436-B Tertiary amino acid derivative, preparation method and application thereof 安徽农业大学 2024-07-12 CN disclosed
CN-116425684-A Synthesis method of oxaagole sodium intermediate 安徽联创生物医药股份有限公司 2023-07-14 CN disclosed
US-20230107216-A1 PANTETHEINE DERIVATIVES AND USES THEREOF VECTIVBIO COMET AG, F/K/A COMET THERAPEUTICS, INC. (CH) 2023-04-06 US disclosed
CN-113582904-B 5-n-propyl-4-hydroxypyrrole-2-ketone derivative and preparation method and application thereof 安徽农业大学 2023-03-10 CN disclosed
US-20230072313-A1 CYCLIC PANTETHEINE DERIVATIVES AND USES THEREOF VECTIVBIO COMET AG, F/K/A COMET THERAPEUTICS, INC. (CH) 2023-03-09 US disclosed
EP-0194906-B1 HETEROCYCLIC DISSYMMETRIC 1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLIC-ACID ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTICAL USE FOURNIER INNOVATION ET SYNERGIE (FR) 1989-07-19 EP disclosed
US-4710505-A VASODILATORS, HYPOTENSIVES SOCIETE DE RECHERCHES INDUSTRIELLES (S.O.R.I.) (FR) 1987-12-01 US disclosed
US-4686217-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS FISONS PLC (GB) 1987-08-11 US disclosed
EP-0225175-A2 Dihydropyridine derivatives, processes for their preparation and pharmaceutical compositions thereof FISONS plc (GB) 1987-06-10 EP disclosed
EP-0194906-A2 Heterocyclic dissymmetric 1,4-dihydropyridine-3,5-dicarboxylic-acid esters, process for their preparation and their therapeutical use FOURNIER INNOVATION ET SYNERGIE (FR) 1986-09-17 EP disclosed
US-4607041-A CARDIOTONIC AGENTS FISONS PLC (GB) 1986-08-19 US disclosed
EP-0174131-A2 Dihydropyridines, processes and intermediates for their production, and pharmaceutical formulations containing them FISONS plc (GB) 1986-03-12 EP disclosed
EP-0145434-A2 Novel dihydropyridine derivatives and process for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-06-19 EP disclosed
EP-0125803-A2 Pharmaceutically active dihydropyridines FISONS plc (GB) 1984-11-21 EP 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-20230107216-A1 PANTETHEINE DERIVATIVES AND USES THEREOF VNN1, NQO1, VKORC1 BACE1 4499/4885PTPN1 3886/4885GLA 760/4885
US-20230072313-A1 CYCLIC PANTETHEINE DERIVATIVES AND USES THEREOF VNN1, VKORC1, PANK3 BACE1 4463/4885PTPN1 2952/4885GLA 900/4885
US-12037354-B2 Cyclic pantetheine derivatives and uses thereof VNN1, VKORC1, PANK3 BACE1 4463/4885PTPN1 2952/4885GLA 900/4885

“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.