SCHEMBL252825

SCHEMBL252825

CCCCCONC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.45
NAAA Q02083 1/20 0.43
HCAR2 Q8TDS4 2/20 0.42
S1PR2 O95136 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
CES2 O00748 1/20 0.42
EPHX2 P34913 1/20 0.42
CNR2 P34972 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
AKR1B1 P15121 1/20 0.41
ALOX15 P16050 1/20 0.40
FAAH O00519 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ACHE P22303 4/20 0.39
TSHR P16473 2/20 0.39

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
SCHEMBL8516233 0.98 EPHX1 (0.48) EPHX1NAAAHCAR2S1PR2S1PR1
SCHEMBL28816929 0.98 EPHX1 (0.48) EPHX1NAAAHCAR2S1PR2S1PR1
SCHEMBL9490477 0.98 EPHX1 (0.48) EPHX1NAAAHCAR2S1PR2S1PR1
SCHEMBL1495274 0.93
SCHEMBL27797987 0.83
SCHEMBL4650512 0.82 CES2 (0.47) EPHX1NAAAS1PR2S1PR1S1PR3
SCHEMBL1756788 0.82 EPHX1 (0.45) EPHX1NAAAS1PR2S1PR1S1PR3
SCHEMBL11001295 0.81 TSHR (0.45) EPHX1HCAR2CES2ALOX15TSHR
SCHEMBL21724593 0.80 EPHX1 (0.48) EPHX1NAAACES2CNR2TRPV1
SCHEMBL4762004 0.80 CES2 (0.50) EPHX1NAAACES2CNR2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113461681-A Iridium-catalyzed N-phenyl-7 azaindole derivative and preparation method thereof 陕西科技大学 2021-10-01 CN claimed
CN-110283103-B Method for synthesizing α amino acid ester/amide by base-catalyzed decarboxylation amination 北京理工大学 2020-08-04 CN claimed
CN-110878034-A Method for preparing amine compound by base-catalyzed decarboxylation amination 北京理工大学 2020-03-13 CN claimed
CN-110283103-A A kind of decarboxylation amination of base catalysis prepares amino-acid ester/amide method 北京理工大学 2019-09-27 CN claimed
CN-102216257-A GABA conjugates and methods of use thereof KYPHIA PHARMACEUTICALS INC 2011-10-12 CN claimed
CN-101898977-A GABA (Gamma-Aminobutyric Acid) conjugates and using method thereof FENG XU 2010-12-01 CN claimed
CN-101679897-A Method of lubricating-an aluminium silicate composite surface with a lubricant comprising ashless, sulphur, phosphorus free antiwear agent LUBRIZOL CORP 2010-03-24 CN claimed
CN-101291916-A 9-aminocarbonyl substituted derivatives of glycylcyclines WYETH CORP (US) 2008-10-22 CN claimed
CN-113461681-B Iridium-catalyzed N-phenyl-7 azaindole derivative and preparation method thereof 陕西科技大学 2024-03-15 CN disclosed
CN-113461681-A Iridium-catalyzed N-phenyl-7 azaindole derivative and preparation method thereof 陕西科技大学 2021-10-01 CN disclosed
CN-110283103-B Method for synthesizing α amino acid ester/amide by base-catalyzed decarboxylation amination 北京理工大学 2020-08-04 CN disclosed
CN-110283103-B Method for synthesizing α amino acid ester/amide by base-catalyzed decarboxylation amination 北京理工大学 2020-08-04 CN disclosed
CN-110878034-A Method for preparing amine compound by base-catalyzed decarboxylation amination 北京理工大学 2020-03-13 CN disclosed
CN-110283103-A A kind of decarboxylation amination of base catalysis prepares amino-acid ester/amide method 北京理工大学 2019-09-27 CN disclosed
CN-101291916-A 9-aminocarbonyl substituted derivatives of glycylcyclines WYETH CORP (US) 2008-10-22 CN disclosed
EP-1919879-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP disclosed
WO-2007027599-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES WYETH (US) 2007-03-08 WO disclosed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 US disclosed
EP-0073146-A1 Method and material for the formation of silver halide color photographic image KONICA CORPORATION (JP) 1983-03-02 EP disclosed
US-4160077-A Process of crosslinking unsaturated hydrocarbon polymers employing novel carbamates IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-07-03 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 (1 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-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines Q6ZSR9, GMPS, RPS10 EPHX1 4541/4885NAAA 833/4885HCAR2 1956/4885

“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.