SCHEMBL3745941

SCHEMBL3745941

CCOC(c1ccc(OC)cc1F)c1c(C)n(C(C)C)[nH]c1=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.34
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
GAA P10253 2/20 0.32
TDP2 O95551 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
CPS1 P31327 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PRKCZ Q05513 1/20 0.30
FFAR1 O14842 1/20 0.30
CRHR1 P34998 1/20 0.30

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
SCHEMBL5035241 0.93 MAPT (0.35) GAAPOLBMAPTCPS1MEN1
SCHEMBL5028711 0.91 POLB (0.32) POLBFFAR1
SCHEMBL5030915 0.88 GPR139 (0.30)
SCHEMBL5030933 0.87
SCHEMBL14285900 0.84 GAA (0.36) ATMMTNR1AMTNR1BGAATDP2
SCHEMBL5030916 0.83 MEN1 (0.32) GAAMAPTMEN1KMT2A
SCHEMBL14626450 0.82 MTNR1B (0.38) ATMMTNR1AMTNR1BGAATDP2
SCHEMBL5033157 0.82 HTT (0.36) MTNR1BPOLBMAPTCPS1MEN1
SCHEMBL14285919 0.80 MAPT (0.37) POLBMAPTCPS1MEN1KMT2A
SCHEMBL14626449 0.78 MAPT (0.36) POLBMAPTCPS1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838500-B2 Crystalline form of 1′-(1-methylethyl)-4′-[(2-fluoro-4-methoxyphenyl)methyl]-5′-methyl-1H-pyrazol-3′-O-β-D-glucopyranoside, a method for its preparation and the use thereof for preparing medicaments AJINOMOTO CO., INC. (JP) 2010-11-23 US disclosed
US-7838500-B2 Crystalline form of 1′-(1-methylethyl)-4′-[(2-fluoro-4-methoxyphenyl)methyl]-5′-methyl-1H-pyrazol-3′-O-β-D-glucopyranoside, a method for its preparation and the use thereof for preparing medicaments AJINOMOTO CO., INC. (JP) 2010-11-23 US disclosed
US-7838500-B2 Crystalline form of 1′-(1-methylethyl)-4′-[(2-fluoro-4-methoxyphenyl)methyl]-5′-methyl-1H-pyrazol-3′-O-β-D-glucopyranoside, a method for its preparation and the use thereof for preparing medicaments AJINOMOTO CO., INC. (JP) 2010-11-23 US disclosed
US-20090181905-A1 CRYSTALLINE FORM OF 1' -(1-METHYLETHYL)-4' -[(2-FLUORO-4-METHOXYPHENYL)METHYL]-5' -METHYL-1H-PYRAZOL-3' -O-BETA-D-GLUCOPYRANOSIDE, A METHOD FOR ITS PREPARATION AND THE USE THEREOF FOR PREPARING MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-16 US disclosed
US-20090181905-A1 CRYSTALLINE FORM OF 1' -(1-METHYLETHYL)-4' -[(2-FLUORO-4-METHOXYPHENYL)METHYL]-5' -METHYL-1H-PYRAZOL-3' -O-BETA-D-GLUCOPYRANOSIDE, A METHOD FOR ITS PREPARATION AND THE USE THEREOF FOR PREPARING MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-16 US disclosed
US-20090181905-A1 CRYSTALLINE FORM OF 1' -(1-METHYLETHYL)-4' -[(2-FLUORO-4-METHOXYPHENYL)METHYL]-5' -METHYL-1H-PYRAZOL-3' -O-BETA-D-GLUCOPYRANOSIDE, A METHOD FOR ITS PREPARATION AND THE USE THEREOF FOR PREPARING MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-16 US disclosed
US-7524822-B2 Crystalline form of 1′-(1-methylethyl)-4′-[(2-fluoro-4-methoxyphenyl)methyl]-5′-methyl-1H-pyrazol-3′-O-β-D-glucopyranoside, a method for its preparation and the use thereof for preparing medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-28 US disclosed
US-7524822-B2 Crystalline form of 1′-(1-methylethyl)-4′-[(2-fluoro-4-methoxyphenyl)methyl]-5′-methyl-1H-pyrazol-3′-O-β-D-glucopyranoside, a method for its preparation and the use thereof for preparing medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-28 US disclosed
US-7524822-B2 Crystalline form of 1′-(1-methylethyl)-4′-[(2-fluoro-4-methoxyphenyl)methyl]-5′-methyl-1H-pyrazol-3′-O-β-D-glucopyranoside, a method for its preparation and the use thereof for preparing medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-28 US disclosed
EP-1910391-A1 PROCESSES FOR PREPARING PYRAZOLE-O-GLYCOSIDE DERIVATIVES AND NOVEL INTERMEDIATES OF SAID PROCESSES Boehringer Ingelheim International GmbH (DE) 2008-04-16 EP disclosed
US-20080020987-A1 Processes for preparing pyrazole-O-glycoside derivatives and novel intermediates of said processes AJINOMOTO CO., INC. (JP) 2008-01-24 US disclosed
US-20080020987-A1 Processes for preparing pyrazole-O-glycoside derivatives and novel intermediates of said processes AJINOMOTO CO., INC. (JP) 2008-01-24 US disclosed
US-20080020987-A1 Processes for preparing pyrazole-O-glycoside derivatives and novel intermediates of said processes AJINOMOTO CO., INC. (JP) 2008-01-24 US disclosed
US-20070244176-A1 Crystalline form of 1'-(1-methylethyl)-4'-[(2-fluoro-4-methoxyphenyl)methyl]-5'-methyl-1H-pyrazol-3'-O-beta-D-glucopyranoside, a method for its preparation and the use thereof for preparing medicaments AJINOMOTO CO., INC. (JP) 2007-10-18 US disclosed
US-20070244176-A1 Crystalline form of 1'-(1-methylethyl)-4'-[(2-fluoro-4-methoxyphenyl)methyl]-5'-methyl-1H-pyrazol-3'-O-beta-D-glucopyranoside, a method for its preparation and the use thereof for preparing medicaments AJINOMOTO CO., INC. (JP) 2007-10-18 US disclosed
US-20070244176-A1 Crystalline form of 1'-(1-methylethyl)-4'-[(2-fluoro-4-methoxyphenyl)methyl]-5'-methyl-1H-pyrazol-3'-O-beta-D-glucopyranoside, a method for its preparation and the use thereof for preparing medicaments AJINOMOTO CO., INC. (JP) 2007-10-18 US disclosed
WO-2007080170-A1 CRYSTALLINE FORM OF 1´-(1-METHYLETHYL)- 4´-[(2-FLUORO-4-METHOXYPHENYL)METHYL]-5´-METHYL-1H-PYRAZOL-3´-O-β-D-GLUCOPYRANOSIDE, A METHOD FOR ITS PREPARATION AND THE USE THEREOF FOR PREPARING MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-19 WO disclosed
WO-2007010015-A1 PROCESSES FOR PREPARING PYRAZOLE-O-GLYCOSIDE DERIVATIVES AND NOVEL INTERMEDIATES OF SAID PROCESSES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-25 WO disclosed
WO-2007010015-A1 PROCESSES FOR PREPARING PYRAZOLE-O-GLYCOSIDE DERIVATIVES AND NOVEL INTERMEDIATES OF SAID PROCESSES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-25 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 (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-20080020987-A1 Processes for preparing pyrazole-O-glycoside derivatives and novel intermediates of said processes CYP4B1, CYP1B1, CYP11B1 ATM 3857/4885MTNR1A 3806/4885MTNR1B 3260/4885
US-20090181905-A1 CRYSTALLINE FORM OF 1' -(1-METHYLETHYL)-4' -[(2-FLUORO-4-METHOXYPHENYL)METHYL]-5' -METHYL-1H-PYRAZOL-3' -O-BETA-D-GLUCOPYRANOSIDE, A METHOD FOR ITS PREPARATION AND THE USE THEREOF FOR PREPARING MEDICAMENTS UGGT1, GANAB, MGAT3 ATM 4365/4885MTNR1A 1413/4885MTNR1B 1643/4885
US-20070244176-A1 Crystalline form of 1'-(1-methylethyl)-4'-[(2-fluoro-4-methoxyphenyl)methyl]-5'-methyl-1H-pyrazol-3'-O-beta-D-glucopyranoside, a method for its preparation and the use thereof for preparing medicaments UGGT1, GANAB, MGAT3 ATM 4365/4885MTNR1A 1413/4885MTNR1B 1643/4885

“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.