SCHEMBL5457910

SCHEMBL5457910

COC(=O)C(C(=O)OC)c1cccc(C(F)(F)F)c1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CTSS P25774 3/20 0.42
CCR1 P32246 3/20 0.39
EPHX2 P34913 3/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
CNR2 P34972 1/20 0.38
KAT6A Q92794 1/20 0.37
P2RX7 Q99572 1/20 0.37
MAPK1 P28482 1/20 0.37
CTSK P43235 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36

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
SCHEMBL5452247 0.80 IDO1 (0.49) IDO1TDO2CTSSCCR1EPHX2
SCHEMBL8917002 0.78 ALDH1A1 (0.44) ALDH1A1EPHX2SMN1; SMN2HPGDCNR2
SCHEMBL24037034 0.76 IDO1 (0.43) IDO1TDO2ALDH1A1CTSSCCR1
SCHEMBL8914226 0.74 CNR2 (0.46) ALDH1A1CTSSSMN1; SMN2HPGDCNR2
SCHEMBL17356467 0.73 HPGD (0.46) CTSSEPHX2TAS1R3TAS1R1TAS1R2
SCHEMBL30474559 0.73 CNR2 (0.44) ALDH1A1CTSSSMN1; SMN2HPGDCNR2
SCHEMBL8233462 0.73 CNR2 (0.44) ALDH1A1CTSSSMN1; SMN2HPGDCNR2
SCHEMBL28068541 0.73 CNR2 (0.44) ALDH1A1SMN1; SMN2HPGDCNR2P2RX7
SCHEMBL21659215 0.73 CNR2 (0.44) ALDH1A1CTSSSMN1; SMN2HPGDCNR2
SCHEMBL21132890 0.73 IDO1 (0.47) IDO1TDO2CTSSCCR1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078149-A1 6-(2-Halophenyl)triazolopyrimidines, their preparation and their use for controlling harmful fungi, and compositions comprising these compounds BASF AKTIENGESELLSCHAFT (DE) 2007-04-05 US disclosed
EP-1697367-A1 6-(2-HALOPHENYL)-TRIAZOLOPYRIMIDINES, METHOD FOR THEIR PRODUCTION AND THEIR USE FOR COMBATING PATHOGENIC FUNGI, IN ADDITION TO AGENTS CONTAINING SAID SUBSTANCES BASF AKTIENGESELLSCHAFT (DE) 2006-09-06 EP disclosed
WO-2005058907-A1 6-(2-HALOPHENYL)-TRIAZOLOPYRIMIDINES, METHOD FOR THEIR PRODUCTION AND THEIR USE FOR COMBATING PATHOGENIC FUNGI, IN ADDITION TO AGENTS CONTAINING SAID SUBSTANCES BASF AKTIENGESELLSCHAFT (DE) 2005-06-30 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-20070078149-A1 6-(2-Halophenyl)triazolopyrimidines, their preparation and their use for controlling harmful fungi, and compositions comprising these compounds CBR1, CBR3, HDHD5 IDO1 1064/4885TDO2 70/4885ALDH1A1 883/4885

“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.