SCHEMBL3747730

SCHEMBL3747730

COc1ccc(Cc2c(C)n(C(C)C)[nH]c2=O)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
MTNR1B P49286 1/20 0.34
PDE10A Q9Y233 5/20 0.34
GNRHR P30968 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 2/20 0.33
PDE9A O76083 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CPS1 P31327 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE4D Q08499 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL5031773 0.94 KMT2A (0.38) KMT2AMTNR1BPDE10AALDH1A1LMNA
SCHEMBL5028719 0.89 LMNA (0.36) LMNAPOLBL3MBTL1MAPT
SCHEMBL5033114 0.88 HSD17B10 (0.36) KMT2APDE10AALDH1A1LMNAMEN1
SCHEMBL5030951 0.85 TAAR1 (0.39) KMT2AMTNR1BGNRHRALDH1A1LMNA
SCHEMBL5033155 0.85 KDM4C (0.38) KMT2AALDH1A1LMNAPOLBKDM4E
SCHEMBL5035227 0.80 MEN1 (0.36) KMT2AGNRHRALDH1A1MEN1
SCHEMBL5030966 0.77 POLB (0.38) KMT2AMTNR1BALDH1A1MEN1PDE9A
SCHEMBL5030980 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL14626450 0.75 MTNR1B (0.38) MTNR1BPOLBCPS1KDM4EMAPT
SCHEMBL14285900 0.75 GAA (0.36) MTNR1BALDH1A1LMNAPDE9APOLB

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 KMT2A 2538/4885MTNR1B 3260/4885PDE10A 1191/4885
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 KMT2A 2850/4885MTNR1B 1643/4885PDE10A 2538/4885
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 KMT2A 2850/4885MTNR1B 1643/4885PDE10A 2538/4885

“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.