SCHEMBL505538

SCHEMBL505538

O=C(O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.69
TPX2 Q9ULW0 1/20 0.69
EPHX2 P34913 3/20 0.62
FAAH O00519 1/20 0.62
HSD17B10 Q99714 2/20 0.57
ALDH1A1 P00352 1/20 0.57
TSHR P16473 1/20 0.57
AKR1C2 P52895 1/20 0.55
AKR1C1 Q04828 1/20 0.55
BCL2L1 Q07817 1/20 0.53
BAD Q92934 1/20 0.53
PPARA Q07869 1/20 0.53
RXRA P19793 2/20 0.53
RXRB P28702 1/20 0.53
RXRG P48443 1/20 0.53
IGF2BP2 Q9Y6M1 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51

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
SCHEMBL219654 0.94 EPHX2 (0.68) AURKATPX2EPHX2FAAHHSD17B10
Hydrochloric Acid SCHEMBL8086285 0.92 EPHX2 (0.66) AURKATPX2EPHX2FAAHHSD17B10
SCHEMBL6108041 0.89 EPHX2 (0.77) AURKATPX2EPHX2FAAHHSD17B10
SCHEMBL22721360 0.89 EPHX2 (0.62) AURKATPX2EPHX2FAAHHSD17B10
SCHEMBL12833076 0.84 NPC1 (0.62) AURKATPX2EPHX2FAAHHSD17B10
SCHEMBL5473190 0.84 EPHX2 (0.70) AURKATPX2EPHX2FAAHHSD17B10
SCHEMBL3745780 0.83 AURKA (0.67) AURKATPX2AKR1C2AKR1C1PPARA
SCHEMBL505417 0.83 RXRA (0.61) AURKATPX2RXRARXRBIGF2BP2
SCHEMBL29784241 0.83 RXRA (0.61) AURKATPX2RXRARXRBIGF2BP2
SCHEMBL22815931 0.83 AURKA (0.54) AURKATPX2EPHX2FAAHAKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP claimed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US claimed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO claimed
US-20080015223-A1 Pyrazole Derivatives as Modulators of the 5-Ht2a Serotonin Receptor Useful for the Treatment of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2008-01-17 US claimed
CN-111465596-B Pyridinium salt and pest control agent 日本曹达株式会社 2023-09-22 CN disclosed
US-20220369637-A1 PYRIDINIUM SALT AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2022-11-24 US disclosed
US-11445726-B2 Pyridinium salt and pest control agent NIPPON SODA CO., LTD. (JP) 2022-09-20 US disclosed
US-11384055-B2 Glycolate oxidase inhibitors for the treatment of disease BIOMARIN PHARMACEUTICAL INC. (US) 2022-07-12 US disclosed
CN-113045494-B Pyridone derivative and application thereof in preparation of drugs for preventing and/or treating tuberculosis caused by mycobacterium tuberculosis 四川大学华西医院 2022-04-26 CN disclosed
CN-113045494-A Pyridone derivative and application thereof in preparation of drugs for preventing and/or treating tuberculosis caused by mycobacterium tuberculosis 四川大学华西医院 2021-06-29 CN disclosed
US-20210171474-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2021-06-10 US disclosed
WO-2021049522-A1 ONIUM SALT OF NITROGEN-CONTAINING HETEROARYL COMPOUND AND PEST CONTROL AGENT 日本曹達株式会社 2021-03-18 WO disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP disclosed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US disclosed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO disclosed
US-20080015223-A1 Pyrazole Derivatives as Modulators of the 5-Ht2a Serotonin Receptor Useful for the Treatment of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2008-01-17 US disclosed
WO-2006060762-A2 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2006-06-08 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 (7 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-20080015223-A1 Pyrazole Derivatives as Modulators of the 5-Ht2a Serotonin Receptor Useful for the Treatment of Disorders Related Thereto HTR5A, HTR2A, HTR3A AURKA 4258/4885TPX2 2875/4885EPHX2 3640/4885
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, FH, DPYD AURKA 2641/4885TPX2 681/4885EPHX2 515/4885
US-11384055-B2 Glycolate oxidase inhibitors for the treatment of disease XDH, PNPO, AGXT AURKA 4837/4885TPX2 378/4885EPHX2 818/4885
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR PTGER2, PTGER1, PTGDR2 AURKA 4824/4885TPX2 2312/4885EPHX2 41/4885
US-20210171474-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE XDH, PNPO, AGXT AURKA 4837/4885TPX2 378/4885EPHX2 818/4885
US-20220369637-A1 PYRIDINIUM SALT AND PEST CONTROL AGENT PRDX1, KCNQ5, KCNQ1 AURKA 1927/4885TPX2 306/4885EPHX2 2802/4885
US-11445726-B2 Pyridinium salt and pest control agent PRDX1, KCNQ5, KCNQ1 AURKA 1927/4885TPX2 306/4885EPHX2 2802/4885

“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.