Sugi Predict

Sugi Predict / Compounds / SCHEMBL4180699

SCHEMBL4180699

SCHEMBL4180699

C[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PGD P52209 1/20 0.33
▸ SLC22A6 Q4U2R8 1/20 0.31
▸ CACNA2D1 P54289 2/20 0.31
▸ CACNB3 P54284 1/20 0.31
▸ CACNA1C Q13936 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ CACNA2D2 Q9NY47 1/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL4180706 1.00 PGD (0.33) PGDSLC22A6CACNA2D1CACNB3CACNA1C
SCHEMBL4455207 1.00 PGD (0.33) PGDSLC22A6CACNA2D1CACNB3CACNA1C
SCHEMBL9622524 0.85 — —
SCHEMBL6484089 0.84 ALDH1A1 (0.39) TDP1
SCHEMBL6496531 0.84 ALDH1A1 (0.39) TDP1
SCHEMBL21234118 0.82 — —
SCHEMBL4702274 0.82 — —
SCHEMBL9805186 0.82 — —
SCHEMBL2636857 0.82 SMN1; SMN2 (0.35) PGDSLC22A6ADRA1ATDP1
SCHEMBL4317387 0.81 GABRP (0.41) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304523-A1 COMBINED LACTATE AND KETONE BODY ESTERS FOR MEDICAL AND NUTRITIONAL USE AARHUS UNIVERSITET (DK) 2025-10-02 — — US disclosed
EP-4519239-A1 COMBINED LACTATE AND KETONE BODY ESTERS FOR MEDICAL AND NUTRITIONAL USE Aarhus Universitet (DK) 2025-03-12 — — EP disclosed
CN-119504571-A Right-embedded alcohol or fenchyl alcohol ester derivatives of 2-hydroxy nicotinic acid and pharmaceutical application thereof 苏州缘聚医药科技有限公司 2025-02-25 — — CN disclosed
CN-119212974-A Combination lactic acid and ketoesters for medical and nutritional use 奥胡斯大学 2024-12-27 — — CN disclosed
EP-3634430-B1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2024-08-07 — — EP 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
EP-4370523-A1 HETEROCYCLIC COMPOUNDS AS MAP4K1 INHIBITORS Blueprint Medicines Corporation (US) 2024-05-22 — — EP disclosed
CN-117940438-A Heterocyclic compounds as MAP4K1 inhibitors 缆图药品公司 2024-04-26 — — CN disclosed
US-20230399288-A1 LACTATE/KETONE BODY ESTERS AARHUS UNIVERSITET (DK) 2023-12-14 — — US disclosed
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2003-12-04 — — US disclosed
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-03-07 — — US disclosed
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-01-31 — — US disclosed
US-6307047-B1 PYRIDAZINONE COMPOUNDS; INHIBITORS OF CYCLOOXYGENASE-2 (COX-2); SELECTIVITY OF THESE COMPOUNDS FOR COX-2 MINIMIZES THE UNWANTED GI AND RENAL SIDE-EFFECTS SEEN WITH CURRENTLY MARKETED NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ABBOTT LABORATORIES 2001-10-23 — — US disclosed
EP-1124804-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-08-22 — — EP disclosed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 — — WO disclosed
US-5149462-A Used as ferroelectric liquid crystal MITSUBISHI RAYON COMPANY LTD. (JP) 1992-09-22 — — US disclosed
EP-0269236-B1 PROCESS FOR SYNTHESIS OF A CHIRAL AZETIDINONE MERCK & CO. INC. (US) 1991-04-03 — — EP disclosed
EP-0409066-A2 Optically active compound for liquid crystal and its use MITSUBISHI RAYON COMPANY, LTD. (JP) 1991-01-23 — — EP disclosed
EP-0269236-A1 Process for synthesis of a chiral azetidinone MERCK & CO. INC. (US) 1988-06-01 — — 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 (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-20230399288-A1 LACTATE/KETONE BODY ESTERS LDHB, LDHA, IL1B PGD 965/4885SLC22A6 934/4885CACNA2D1 3734/4885
US-20250304523-A1 COMBINED LACTATE AND KETONE BODY ESTERS FOR MEDICAL AND NUTRITIONAL USE LDHB, LDHA, LCT PGD 1041/4885SLC22A6 646/4885CACNA2D1 4043/4885
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 PGD 98/4885SLC22A6 2262/4885CACNA2D1 3416/4885
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 PGD 98/4885SLC22A6 2262/4885CACNA2D1 3416/4885
US-12037354-B2 Cyclic pantetheine derivatives and uses thereof VNN1, VKORC1, PANK3 PGD 150/4885SLC22A6 451/4885CACNA2D1 3997/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 PGD 98/4885SLC22A6 2262/4885CACNA2D1 3416/4885

“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.