SCHEMBL709667

SCHEMBL709667

CCc1c(C(F)(F)F)cnc(C(=O)O)c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASPH Q12797 1/20 0.40
▸ CFTR P13569 2/20 0.31
▸ TAS2R14 Q9NYV8 1/20 0.31
▸ HCAR2 Q8TDS4 3/20 0.31
▸ PTGER1 P34995 1/20 0.31
▸ AGBL2 Q5U5Z8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ AR P10275 1/20 0.31
▸ HDAC6 Q9UBN7 2/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ AKR1C3 P42330 1/20 0.30
▸ AKR1C2 P52895 1/20 0.30
▸ GABRP O00591 1/20 0.30
▸ GABRD O14764 1/20 0.30
▸ GABRA1 P14867 1/20 0.30
▸ GABRB1 P18505 1/20 0.30
▸ GABRG2 P18507 1/20 0.30
▸ GABRB3 P28472 1/20 0.30
▸ GABRA5 P31644 1/20 0.30

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
SCHEMBL709545 0.82 ASPH (0.40) ASPHTDP1AKR1C3AKR1C2
SCHEMBL20956600 0.72 ASPH (0.41) ASPHL3MBTL1HDAC6AKR1C3AKR1C2
SCHEMBL27938376 0.71 ASPH (0.36) ASPHL3MBTL1
SCHEMBL31214210 0.70 ASPH (0.46) ASPHTAS2R14HCAR2AGBL2L3MBTL1
SCHEMBL17047064 0.69 ASPH (0.45) ASPHCFTRTAS2R14HCAR2PTGER1
SCHEMBL6298416 0.69 HCAR2 (0.40) HCAR2TDP1GABRPGABRDGABRA1
SCHEMBL28841973 0.68 HCAR2 (0.39) HCAR2TDP1GABRPGABRDGABRA1
SCHEMBL15992452 0.68 ASPH (0.35) ASPHAGBL2ARAKR1C3AKR1C2
SCHEMBL29590421 0.66 GABRP (0.49) ASPHHCAR2L3MBTL1TDP1GABRP
SCHEMBL1973503 0.66 GABRP (0.49) ASPHHCAR2L3MBTL1TDP1GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118113-B1 PYRIDYL-TRIAZOLOPYRIMIDINE DERIVATIVE OR ITS SALT, PESTICIDE CONTAINING IT AND ITS PRODUCTION PROCESS ISHIHARA SANGYO KAISHA (JP) 2013-01-30 — — EP disclosed
CN-101611037-B Pyridyl-triazolopyrimidine derivative or its salt, pesticide containing it and its production process ISHIHARA SANGYO KAISHA 2012-11-28 — — CN disclosed
US-8124760-B2 Pyridyl-triazolopyrimidine derivative or its salt, pesticide containing it and its production process ISHIHARA SANGYO KAISHA, LTD. (JP) 2012-02-28 — — US disclosed
US-20100087452-A1 PYRIDYL-TRIAZOLOPYRIMIDINE DERIVATIVE OR ITS SALT, PESTICIDE CONTAINING IT AND ITS PRODUCTION PROCESS ISHIHARA SANGYO KAISHA, LTD (JP) 2010-04-08 — — US disclosed
CN-101611037-A Pyridyl-triazolopyrimidine derivative or its salt, the sterilant that comprises it and its preparation method ISHIHARA SANGYO KAISHA (JP) 2009-12-23 — — CN 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-20100087452-A1 PYRIDYL-TRIAZOLOPYRIMIDINE DERIVATIVE OR ITS SALT, PESTICIDE CONTAINING IT AND ITS PRODUCTION PROCESS SCN5A, CHRNA5, NR5A2 ASPH 1837/4885CFTR 1935/4885TAS2R14 1653/4885

“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.

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