SCHEMBL4404352

SCHEMBL4404352

O=C(O)[C@@H](COP(=O)(O)O)OP(=O)(O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.57
PGK2 P07205 1/20 0.57
PGD P52209 5/20 0.53
MPI P34949 1/20 0.39
LAP3 P28838 2/20 0.37
PIN1 Q13526 1/20 0.35
TPI1 P60174 1/20 0.34
LPAR6 P43657 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR4 Q99677 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33

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
SCHEMBL80335 1.00 PGK1 (0.57) PGK1PGK2PGDMPILAP3
SCHEMBL30852238 1.00 PGK1 (0.57) PGK1PGK2PGDMPILAP3
SCHEMBL31657225 0.98 PGK1 (0.55) PGK1PGK2PGDMPILAP3
Phosphoric Acid SCHEMBL5917775 0.98 PGK1 (0.55) PGK1PGK2PGDMPILAP3
SCHEMBL3488353 0.89 PGK1 (0.45) PGK1PGK2PGDLAP3
SCHEMBL13176646 0.86 PGK1 (0.52) PGK1PGK2PGDMPILAP3
SCHEMBL186958 0.84 PGK1 (0.50) PGK1PGK2PGDMPILAP3
SCHEMBL4867885 0.82 PGK1 (0.44) PGK1PGK2PGDMPILAP3
SCHEMBL7756355 0.81 PGK1 (0.47) PGK1PGK2PGDLAP3LPAR6
SCHEMBL14464207 0.78 LAP3 (0.41) PGK1PGK2PGDLAP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025072741-A1 PRESERVATIVES FOR MOLECULAR SAMPLE ANALYSIS WITH SAMPLE COLLECTION DEVICES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-04-03 WO claimed
CN-114426795-B High-solid epoxy paint, preparation method and application 南通星辰合成材料有限公司 2023-07-25 CN claimed
CN-107184577-A Application of phthalide compound in preparing medicine for improving oxygen delivery function of hemoglobin blood substitute 中山大学 2017-09-22 CN claimed
CN-102027116-A Production of ethanol from carbon dioxide and water using photosynthetic bacteria algae and greenhouse distillation WEIFU LEE JAMES 2011-04-20 CN claimed
WO-2025072741-A1 PRESERVATIVES FOR MOLECULAR SAMPLE ANALYSIS WITH SAMPLE COLLECTION DEVICES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-04-03 WO disclosed
US-12209252-B2 Transduction buffer KONINKLIJKE NEDERLANDSE AKADEMIE VAN WETENSCHAPPEN (NL) 2025-01-28 US disclosed
EP-3954390-B1 TRANSDUCTION BUFFER KONINKLIJKE NEDERLANDSE AKADEMIE VAN WETENSCHAPPEN (NL) 2024-08-07 EP disclosed
CN-116381072-B Biomarker for identifying sporadic gout and frequent gout and application thereof 苏州艾麦锶生命科技有限公司 2024-05-31 CN disclosed
CN-117551030-A Crystalline forms of N- (4- (4- (cyclopropylmethyl) piperazine-1-carbonyl) phenyl) quinoline-8-sulfonamide 安吉奥斯医药品有限公司 2024-02-13 CN disclosed
CN-116983390-A Process for preparing hemoglobin oxygen carrier by using novel cross-linking agent and application 中国医学科学院输血研究所 2023-11-03 CN disclosed
CN-111372920-B Crystalline forms of N- (4- (4- (cyclopropylmethyl) piperazine-1-carbonyl) phenyl) quinoline-8-sulfonamide 安吉奥斯医药品有限公司 2023-10-20 CN disclosed
CN-116568281-A Pharmaceutical preparation 安吉奥斯医药品有限公司 2023-08-08 CN disclosed
US-20080200437-A1 Polyphosphorylated inositol derivatives; allosteric effectors, cell signaling molecule analogs; hypoxia related diseases UNIVERSITE DE STRASBOURG (FR) 2008-08-21 US disclosed
US-20080200437-A1 Polyphosphorylated inositol derivatives; allosteric effectors, cell signaling molecule analogs; hypoxia related diseases UNIVERSITE DE STRASBOURG (FR) 2008-08-21 US disclosed
US-20070207986-A1 Delivering modified inositol hexaphosphate (IHP); enhance the ability of mammalian red blood cells to deliver oxygen, by delivering IHP to the cytoplasm of the red blood cells; cardiovascular and respiratory disorders NORMOXYS, INC. 2007-09-06 US disclosed
CN-1314423-C Kudzuvine root containing capsule capable of regulating blood pressure and blood fat, preventing and treating cardiovascular and cerebrovascular diseases WANG WEIDONG (CN) 2007-05-09 CN disclosed
CN-1208053-C Use of gaseous nitric oxide for the production of a therapeutic gas for the treatment of hemoglobinopathies GEN HOSPITAL CORP (US) 2005-06-29 CN disclosed
CN-1602926-A Kudzuvine root containing capsule capable of regulating blood pressure and blood fat, preventing and treating cardiovascular and cerebrovascular diseases WANG WEIDONG (CN) 2005-04-06 CN disclosed
CN-1227485-A Treatment of hemoglobinopathy GEN HOSPITAL CORP (US) 1999-09-01 CN disclosed
CN-1047312-A MACROMOLECULAR ENDOPLASMIC RETICULUM NIPPON OILS & FATS CO LTD (JP) 1990-11-28 CN 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-20080200437-A1 Polyphosphorylated inositol derivatives; allosteric effectors, cell signaling molecule analogs; hypoxia related diseases PPIP5K2, IP6K1, IP6K3 PGK1 105/4885PGK2 112/4885PGD 271/4885
US-12209252-B2 Transduction buffer STAT3, JAK2, CFTR PGK1 2704/4885PGK2 1847/4885PGD 3176/4885
US-20070207986-A1 Delivering modified inositol hexaphosphate (IHP); enhance the ability of mammalian red blood cells to deliver oxygen, by delivering IHP to the cytoplasm of the red blood cells; cardiovascular and respiratory disorders PPIP5K2, ITPA, INPP5B PGK1 482/4885PGK2 434/4885PGD 124/4885

“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.