SCHEMBL4420191

SCHEMBL4420191

CC(C)OC(=O)CCc1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ESR1 P03372 2/20 0.45
ESR2 Q92731 1/20 0.45
KDM4E B2RXH2 3/20 0.45
CYP19A1 P11511 2/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL19024861 0.86 L3MBTL1 (0.59) CYP4F2CYP4A11TSHRALDH1A1LMNA
SCHEMBL11509273 0.85 TDP1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL23287934 0.84 IDO1 (0.47) CYP4F2CYP4A11TSHRALDH1A1LMNA
SCHEMBL10020494 0.84 FKBP1A (0.52) CYP4F2CYP4A11TSHRALDH1A1LMNA
SCHEMBL9350223 0.84 CYP4F2 (0.46) CYP4F2CYP4A11TSHRALDH1A1LMNA
SCHEMBL22652835 0.84 CYP4F2 (0.46) CYP4F2CYP4A11TSHRALDH1A1LMNA
SCHEMBL3183513 0.84 TSHR (0.68) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL5361353 0.83 KDM4E (0.58) CYP4F2CYP4A11TSHRALDH1A1LMNA
SCHEMBL11512222 0.83 KDM4E (0.45) CYP4F2CYP4A11TSHRALDH1A1LMNA
SCHEMBL7525162 0.83 ALDH1A1 (0.64) ALDH1A1LMNATDP1L3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117865782-A Method for preparing monophenol chemicals by catalyzing lignin depolymerization with zeolite-like imidazole ester framework material derivatives 华南理工大学 2024-04-12 CN claimed
US-7183281-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2007-02-27 US claimed
US-7074783-B2 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-07-11 US claimed
EP-1549622-A1 SULFONYLBENZODIAZEPINONE ACETAMIDES AS BRADYKININ ANTAGONISTS Elian Pharmaceuticals Inc. (US) 2005-07-06 EP claimed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US claimed
US-20040138208-A1 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-15 US claimed
WO-2004033436-A1 SULFONYLBENZODIAZEPINONE ACETAMIDES AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC (US) 2004-04-22 WO claimed
CN-118401537-A Pyridoxal-5-phosphate (P5P) analogues 加美生物研究公司 2024-07-26 CN disclosed
CN-117865782-A Method for preparing monophenol chemicals by catalyzing lignin depolymerization with zeolite-like imidazole ester framework material derivatives 华南理工大学 2024-04-12 CN disclosed
CN-115611735-A Method for preparing p-hydroxy-benzene propionate by depolymerizing lignin under catalysis of nickel loaded on layered hierarchical pore molecular sieve 华南理工大学 2023-01-17 CN disclosed
CN-101967096-B 3-[4-(alkoxy) phenyl] propionate compound and preparation method and application thereof UNIV SICHUAN 2013-05-22 CN disclosed
CN-101967096-A 3-[4-(alkoxy) phenyl] propionate compound and preparation method and application thereof UNIV SICHUAN 2011-02-09 CN disclosed
US-7635775-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
EP-1501807-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-02-02 EP disclosed
WO-2004098590-A1 4-BROMO-5- (2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (1-(AMINOCARBONYL) ETH-1-YL) AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO disclosed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
US-20040138208-A1 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-15 US disclosed
WO-2004033436-A1 SULFONYLBENZODIAZEPINONE ACETAMIDES AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC (US) 2004-04-22 WO disclosed
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 WO disclosed
WO-2002015691-A1 USE FOR CONIFER SAPLING PROTECTION AGAINST INSECT ATTACK ROBIGUS AB (SE) 2002-02-28 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 (2 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-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK CA12 2479/4885CA1 1006/4885CA2 384/4885
US-20040138208-A1 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists BDKRB1, BDKRB2, HRH2 CA12 2983/4885CA1 1803/4885CA2 1053/4885

“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.