Sugi Predict

Sugi Predict / Compounds / SCHEMBL4593860

SCHEMBL4593860

SCHEMBL4593860

CCOc1ccc(Cc2c(C)[nH][nH]c2=O)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ ALDH1A1 P00352 8/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ HPGD P15428 3/20 0.38
▸ PARP15 Q460N3 2/20 0.38
▸ PARP10 Q53GL7 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GAA P10253 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL2045392 0.86 GAA (0.42) MAPTKDM4EKMT2APDE10AGAA
SCHEMBL4593547 0.83 LMNA (0.39) HSD17B10MAPTALDH1A1KDM4EHPGD
SCHEMBL4593415 0.80 DAO (0.38) HSD17B10MAPTALDH1A1KDM4EMEN1
SCHEMBL14626458 0.78 GAA (0.40) HSD17B10MAPTESR2ALDH1A1KDM4E
SCHEMBL2251668 0.77 ALDH1A1 (0.56) HSD17B10MAPTESR2ALDH1A1KDM4E
SCHEMBL5033114 0.76 HSD17B10 (0.36) HSD17B10MAPTESR2ALDH1A1KDM4E
SCHEMBL14457322 0.75 NQO1 (0.50) HSD17B10MAPTESR2ALDH1A1KDM4E
SCHEMBL4593622 0.74 ALDH1A1 (0.45) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL4593543 0.71 GAA (0.37) MAPTALDH1A1HPGDKMT2ALMNA
SCHEMBL4593386 0.70 GAA (0.34) ALDH1A1KDM4EKMT2AGAADAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (1 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 HSD17B10 1580/4885MAPT 4364/4885ESR2 2782/4885

“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.