SCHEMBL8049079

SCHEMBL8049079

CC(C)C(=O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.50
GSR P00390 2/20 0.47
AKR1C3 P42330 2/20 0.47
KDM4E B2RXH2 1/20 0.47
DBH P09172 1/20 0.47
GAA P10253 1/20 0.47
RECQL P46063 1/20 0.47
PTGS2 P35354 1/20 0.46
MAOB P27338 1/20 0.44

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
SCHEMBL8722500 0.86 ENPP2 (0.48) ENPP2GSRAKR1C3PTGS2MAOB
SCHEMBL7481806 0.84 ENPP2 (0.47) ENPP2GSRAKR1C3PTGS2MAOB
SCHEMBL7922510 0.83 KDM4E (0.47) KDM4EDBHGAARECQL
SCHEMBL10121174 0.82 KDM4E (0.62) KDM4EDBHGAARECQL
SCHEMBL16473924 0.82 KDM4E (0.46) KDM4EDBHGAARECQL
SCHEMBL28427675 0.82 GSK3B (0.53) ENPP2GSRAKR1C3PTGS2
SCHEMBL10136469 0.82 CA2 (0.59) KDM4EDBHGAARECQL
SCHEMBL18217892 0.79 GAA (0.42) ENPP2AKR1C3KDM4EDBHGAA
SCHEMBL15045392 0.79 SMN1; SMN2 (0.52) KDM4EDBHGAARECQL
SCHEMBL17290620 0.78 PTGS2 (0.43) ENPP2GSRAKR1C3PTGS2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109053505-B Synthesis method of important intermediate of feloxicib 四川青木制药有限公司 2020-08-11 CN claimed
CN-107778204-B Preparation method of feloxicib intermediate 扬州天和药业有限公司 2020-04-03 CN claimed
CN-112624943-B Synthesis method of feloxicib intermediate 成都伊诺达博医药科技有限公司 2022-07-01 CN disclosed
CN-112624943-A Synthesis method of feloxicib intermediate 成都伊诺达博医药科技有限公司 2021-04-09 CN disclosed
CN-109053505-B Synthesis method of important intermediate of feloxicib 四川青木制药有限公司 2020-08-11 CN disclosed
CN-109053505-B Synthesis method of important intermediate of feloxicib 四川青木制药有限公司 2020-08-11 CN disclosed
US-10682419-B2 Prodrugs of peptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2020-06-16 US disclosed
CN-107778204-B Preparation method of feloxicib intermediate 扬州天和药业有限公司 2020-04-03 CN disclosed
WO-2019062561-A1 SYNTHESIS METHODS OF FIROCOXIB AND INTERMEDIATE THEREOF SICHUAN QINGMU PHARMACEUTICAL CO., LTD. (CN) 2019-04-04 WO disclosed
US-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION NAKAMURA, ROBERT 2018-01-18 US disclosed
US-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION NAKAMURA, ROBERT 2018-01-18 US disclosed
US-8729114-B2 Heteroaryl nitrile compounds useful as inhibitors of Cathepsin-S BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-20 US disclosed
US-20130158018-A1 Heteroaryl Nitrile Compounds Useful as Inhibitors of Cathepsin-S BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-6080876-A REACTING THIOANISOLE WITH AN ACYL CHLORIDE IN THE PRESENCE OF A LEWIS ACID AND A SOLVENT, SULFONATION, EPOXIDATION, ESTERIFICATION, DECYCLIZATION AND CYCLIZATION; FORMING A POTENT CYCLOOXYGENASE-2 INHIBITORS MERCK & CO., INC. (US) 2000-06-27 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 (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-10682419-B2 Prodrugs of peptide epoxy ketone protease inhibitors PREP, VIP, PEPD ENPP2 1359/4885GSR 2495/4885AKR1C3 166/4885
US-20130158018-A1 Heteroaryl Nitrile Compounds Useful as Inhibitors of Cathepsin-S CTSS, CTSV, CTSF ENPP2 248/4885GSR 789/4885AKR1C3 2165/4885
US-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION CD4, CCR5, MMP8 ENPP2 2051/4885GSR 717/4885AKR1C3 1791/4885

“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.