SCHEMBL452234

SCHEMBL452234

CCOC(=O)CNC(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
MGAM O43451 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
ALDH1A1 P00352 5/20 0.44
TRPA1 O75762 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PPID Q08752 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
NLRP3 Q96P20 1/20 0.37

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
Hydrochloric Acid SCHEMBL5595600 0.98 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7430700 0.84 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL14038998 0.83 NAAA (0.36) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL21578650 0.83 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11193578 0.83 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7721965 0.83 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13774331 0.83 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL28115834 0.82 SOAT1 (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8556849 0.81 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3840221 0.81 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260042780-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC (US) 2026-02-12 US disclosed
US-12485109-B2 Pyrrolo 12.3-dipyrimidine compounds and analogues thereof BIOCRYST PHARMACEUTICALS, INC. (US) 2025-12-02 US disclosed
WO-2025245472-A1 COMPOUNDS AND RELATED METHODS USEFUL FOR DEGRADATION OF CYCLIN K AND INHIBITION OF CYCLIN DEPENDENT KINASES REMIX THERAPEUTICS INC. (US) 2025-11-27 WO disclosed
US-20250222395-A1 MEMBRANES FOR THE SEPARATION OF H2S FROM H2S-CO2 MIXTURES UNITED STATES DEPARTMENT OF ENERGY 2025-07-10 US disclosed
US-20250170122-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC (US) 2025-05-29 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
EP-3925956-B1 1H-INDAZOLE-3-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS FACTOR D INHIBITORS FOR TREATING DISEASES CHARACTERIZED BY ABERRANT COMPLEMENT SYSTEM ACTIVITY, SUCH AS E.G. IMMUNOLOGICAL DISORDERS BIOCRYST PHARM INC (US) 2024-04-10 EP disclosed
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-09-21 US disclosed
WO-2023168974-A1 CHOLIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF AS TGR5 ALLOSTERIC AGONIST 常州大学 2023-09-14 WO disclosed
US-20230218578-A1 BENZOPYRAZOLE COMPOUNDS AND ANALOGUES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-07-13 US disclosed
US-4619931-A BACTERICIDES, FUNGICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1986-10-28 US disclosed
US-4576749-A 3-Acylamino-1-carboxymethylaminocarbonyl-2-azetidinones E. R. SQUIBB & SONS, INC. (US) 1986-03-18 US disclosed
EP-0138407-A1 Azetidinones E.R. Squibb & Sons, Inc. (US) 1985-04-24 EP disclosed
EP-0118138-A1 ((4-(4-(4-Phenyl-1-piperazinyl)phenoxymethyl)-1,3-dioxolan-2-yl)methyl)-1H-imidazoles and 1H-1,2,4-triazoles JANSSEN PHARMACEUTICA N.V. (BE) 1984-09-12 EP disclosed
US-4421693-A INSECTICIDES, MITICIDES OR NEMATOCIDES OTSUKA CHEMICAL CO., LTD. (JP) 1983-12-20 US disclosed
US-4413005-A 2,3-DIHYDRO-2,2-DIMETHYLBENZOFURAN-7-YL DERIVATIVES OTSUKA KAGAKU YAKUHIN KABUSHIKI KAISHA (JP) 1983-11-01 US disclosed
US-4354032-A PREEMERGENCE HERBICIDES PPG INDUSTRIES, INC. (US) 1982-10-12 US disclosed
US-4261732-A Alkyl and alkoxyalkyl N-3-alkyl and N-3,5-dialkylbenzoyl-N-isopropylaminoacetate herbicides PPG INDUSTRIES, INC. (US) 1981-04-14 US disclosed
US-4197114-A Alkyl N-3-alkoxy-, and N-3,5-dialkoxybenzoyl-N-isopropylaminoacetate herbicides PPG INDUSTRIES, INC. (US) 1980-04-08 US disclosed
US-3980777-A INSECTICIDES, ACARICIDES, NEMATICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-09-14 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-12485109-B2 Pyrrolo 12.3-dipyrimidine compounds and analogues thereof C5, DPYD, C9 GAA 2044/4885MGAM 3526/4885SI 801/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD GAA 448/4885MGAM 1445/4885SI 2294/4885
US-20230218578-A1 BENZOPYRAZOLE COMPOUNDS AND ANALOGUES THEREOF C9, C5, C1QBP GAA 641/4885MGAM 3833/4885SI 1253/4885
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME NAMPT, NUDT15, NME4 GAA 3364/4885MGAM 3751/4885SI 2610/4885
US-20260042780-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PTEN, PIK3C2A, PIK3CA GAA 1248/4885MGAM 3147/4885SI 2750/4885
US-20250170122-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB GAA 353/4885MGAM 1636/4885SI 1920/4885

“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.