Sugi Predict

Sugi Predict / Compounds / SCHEMBL4593547

SCHEMBL4593547

SCHEMBL4593547

Cc1[nH][nH]c(=O)c1Cc1ccc(OC(C)C)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 5/20 0.39
▸ KDM4A O75164 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ POLB P06746 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ GAA P10253 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ EZH2 Q15910 1/20 0.35
▸ HPGD P15428 3/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ PARP15 Q460N3 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.34

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 0.85 GAA (0.42) MAPTPOLBGAAKDM4EDAO
SCHEMBL4593860 0.83 HSD17B10 (0.41) LMNAMAPTPOLBL3MBTL1ALDH1A1
SCHEMBL4593415 0.79 DAO (0.38) LMNAMAPTKDM4CALDH1A1GAA
SCHEMBL5028719 0.78 LMNA (0.36) LMNAMAPTKDM4AKDM4CPOLB
SCHEMBL2253214 0.78 MAPT (0.57) LMNAMAPTKDM4AKDM4CPOLB
SCHEMBL14626458 0.77 GAA (0.40) LMNAMAPTPOLBALDH1A1GAA
SCHEMBL4594045 0.74 P2RX3 (0.44) MAPTKDM4AKDM4CALDH1A1GAA
SCHEMBL12187714 0.74 ALDH1A1 (0.44) POLBALDH1A1HTR2AFFAR1PARP10
SCHEMBL13258015 0.71 ALDH1A1 (0.41) POLBALDH1A1HTR2AFFAR1PARP10
SCHEMBL20766785 0.71 POLB (0.45) POLBALDH1A1HTR2APARP10

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 LMNA 971/4885MAPT 4364/4885KDM4A 1415/4885

“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.