SCHEMBL9526240

SCHEMBL9526240

CC(=O)c1ccc(OC(F)(F)F)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.47
KMO O15229 2/20 0.46
ADRB2 P07550 1/20 0.45
ROCK2 O75116 1/20 0.43
EPHX2 P34913 1/20 0.43
RORC P51449 1/20 0.43
SCN9A Q15858 3/20 0.41
PNLIP P16233 1/20 0.41
CREBBP Q92793 1/20 0.41
S100A9 P06702 1/20 0.40
SLC1A5 Q15758 1/20 0.40

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
SCHEMBL30837251 0.88 KMO (0.51) ESRRAKMO
SCHEMBL20702550 0.87 NOTUM (0.42) ESRRAMRGPRX4ADRB2EPHX2RORC
SCHEMBL16950345 0.86 KMO (0.42) ESRRAKMOROCK2SCN9AS100A9
SCHEMBL24959789 0.85 KMO (0.47) MRGPRX4KMOROCK2EPHX2SCN9A
SCHEMBL403102 0.85 KMO (0.53) MRGPRX4KMO
SCHEMBL9526138 0.85 KMO (0.47) MRGPRX4KMOROCK2EPHX2SCN9A
SCHEMBL1109099 0.83 SLC6A2 (0.48) MRGPRX4KMOROCK2SCN9AS100A9
SCHEMBL28012476 0.83 ROCK2 (0.43) MRGPRX4KMOROCK2EPHX2SLC1A5
SCHEMBL24436714 0.81 EPHX2 (0.44) ESRRAEPHX2CREBBP
SCHEMBL16210218 0.81 EPHX2 (0.59) EPHX2CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11384055-B2 Glycolate oxidase inhibitors for the treatment of disease BIOMARIN PHARMACEUTICAL INC. (US) 2022-07-12 US disclosed
US-20210171474-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2021-06-10 US disclosed
WO-2020257487-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-24 WO disclosed
US-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators JANSSEN PHARMACEUTICA NV (BE) 2020-02-18 US disclosed
US-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators JANSSEN PHARMACEUTICA NV (BE) 2019-04-02 US disclosed
US-20180319797-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-11-08 US disclosed
EP-2841435-B1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2017-09-06 EP disclosed
EP-2945944-B1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-09 EP disclosed
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-10 US disclosed
EP-2945944-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceutica, N.V. (BE) 2015-11-25 EP disclosed
EP-2841435-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2015-03-04 EP disclosed
WO-2014111457-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-07-24 WO disclosed
WO-2013161312-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2013-10-31 WO disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
EP-0365913-B1 Substituted 2-aminothiazoles BAYER AG (DE) 1993-11-18 EP disclosed
US-5142092-A Chemical intermediate for making fungicides BAYER AKTIENGESELLSCHAFT (DE) 1992-08-25 US disclosed
EP-0365914-B1 FLUORINE-CONTAINING ACETOPHENONES OPTIONALLY HALOGENATED IN THE CH3-GROUP, AND THEIR PREPARATION FROM FLUORINATED BENZONITRILES BAYER AG (DE) 1992-07-22 EP disclosed
US-5104879-A ANTIMYCOTICALLY ACTIVE SUBSTITUTED 2-AMINOTHIAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1992-04-14 US disclosed
EP-0365914-A2 Fluorine-containing acetophenones optionally halogenated in the CH3-group, and their preparation from fluorinated benzonitriles BAYER AG (DE) 1990-05-02 EP disclosed
EP-0365913-A2 Substituted 2-aminothiazoles BAYER AG (DE) 1990-05-02 EP 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-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 ESRRA 1545/4885MRGPRX4 1664/4885KMO 2532/4885
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ESRRA 1487/4885MRGPRX4 1103/4885KMO 3045/4885
US-11384055-B2 Glycolate oxidase inhibitors for the treatment of disease XDH, PNPO, AGXT ESRRA 3622/4885MRGPRX4 1196/4885KMO 248/4885
US-20210171474-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE XDH, PNPO, AGXT ESRRA 3622/4885MRGPRX4 1196/4885KMO 248/4885
US-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 ESRRA 1545/4885MRGPRX4 1664/4885KMO 2532/4885
US-20180319797-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ESRRA 1487/4885MRGPRX4 1103/4885KMO 3045/4885

“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.