SCHEMBL4593582

SCHEMBL4593582

COc1ccc(Cc2c(OC(C)C)nn(C(C)C)c2C)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.45
SLC5A1 P13866 2/20 0.40
SLC5A2 P31639 2/20 0.40
CPS1 P31327 1/20 0.35
P2RX7 Q99572 1/20 0.33
GPR6 P46095 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
THRB P10828 1/20 0.32
KDM4E B2RXH2 3/20 0.32
POLB P06746 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
ALDH1A1 P00352 1/20 0.31
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
MTNR1B P49286 1/20 0.31

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
SCHEMBL14285955 0.93 DHODH (0.46) DHODHSLC5A1SLC5A2CPS1P2RX7
SCHEMBL14285954 0.89 DHODH (0.46) DHODHSLC5A1SLC5A2P2RX7KMT2A
SCHEMBL14285951 0.87 DHODH (0.47) DHODHSLC5A1SLC5A2P2RX7KMT2A
SCHEMBL10031315 0.87 SLC5A1 (0.33) DHODHSLC5A1SLC5A2P2RX7GPR6
SCHEMBL14285947 0.86 DHODH (0.39) DHODHSLC5A1SLC5A2CPS1MEN1
SCHEMBL14626459 0.85 DHODH (0.45) DHODHSLC5A1SLC5A2P2RX7KMT2A
SCHEMBL14285949 0.81 DHODH (0.45) DHODHCPS1P2RX7GPR6MEN1
SCHEMBL14285946 0.81 DHODH (0.41) DHODHSLC5A1SLC5A2P2RX7
SCHEMBL14285950 0.79 DHODH (0.43) DHODHSLC5A1SLC5A2P2RX7
SCHEMBL12589161 0.79 SLC5A1 (0.55) SLC5A1SLC5A2

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 DHODH 559/4885SLC5A1 1223/4885SLC5A2 1323/4885

“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.