SCHEMBL6630104

SCHEMBL6630104

O=S(=O)(Nc1nc2ccncn2n1)c1c(F)cccc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 3/20 0.36
SLC22A12 Q96S37 4/20 0.35
GPBAR1 Q8TDU6 2/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.33
HSD11B1 P28845 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
CD38 P28907 3/20 0.33
ERAP1 Q9NZ08 1/20 0.32
STIM1 Q13586 1/20 0.32
ORAI1 Q96D31 1/20 0.32
NAMPT P43490 1/20 0.32

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
SCHEMBL4064582 0.74 GLA (0.52) PKM
SCHEMBL4065421 0.70 HPGD (0.53) HSD17B10PKMNAMPT
SCHEMBL6630344 0.68 CCR4 (0.37) SLC40A1SLC22A12ERAP1
SCHEMBL3191542 0.61 ALDH1A1 (0.41) PKMERAP1NAMPT
SCHEMBL2776699 0.61 PTGES2 (0.53) SLC22A12PKMPTGES2
SCHEMBL30586543 0.61 SLC22A12 (0.42) SLC22A12HSD17B10PKMHSD11B1PTGES2
SCHEMBL30586498 0.61 PTGES2 (0.53) SLC22A12PKMPTGES2
SCHEMBL1501184 0.61 SLC22A12 (0.42) SLC22A12HSD17B10PKMHSD11B1PTGES2
SCHEMBL3197747 0.61 SLC22A12 (0.42) SLC22A12PKMHSD11B1PTGES2STIM1
SCHEMBL8025930 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322649-B1 PROCESS FOR THE PREPARATION OF 2-ALKOXY-6-TRIFLUOROMETHYL-N-([1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL)BENZENESULFONAMIDES DOW AGROSCIENCES LLC (US) 2004-05-19 EP claimed
EP-1322649-A2 PROCESS FOR THE PREPARATION OF 2-ALKOXY-6-TRIFLUOROMETHYL-N-([1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL)BENZENESULFONAMIDES Dow AgroSciences LLC (US) 2003-07-02 EP claimed
US-6433169-B1 FORM THE CORRESPONDING 2-FLUORIDE COMPOUND WITH AN ALCOHOL;ETHERIFICATION DOW AGROSCIENCES LLC 2002-08-13 US claimed
WO-2002026742-A2 PROCESS FOR THE PREPARATION OF 2-ALKOXY-6-TRIFLUOROMETHYL-N-([1,2,4]TRIAZOLO[1,5-c]PYRIMIDIN-2-YL)BENZENESULFONAMIDES DOW AGROSCIENCES LLC (US) 2002-04-04 WO claimed
US-20020037811-A1 Process for the preparation of 2-alkoxy-6-trifluoromethyl-N-([1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamides DOW AGROSCIENCES LLC 2002-03-28 US claimed
EP-1322649-B1 PROCESS FOR THE PREPARATION OF 2-ALKOXY-6-TRIFLUOROMETHYL-N-([1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL)BENZENESULFONAMIDES DOW AGROSCIENCES LLC (US) 2004-05-19 EP disclosed
EP-1322649-A2 PROCESS FOR THE PREPARATION OF 2-ALKOXY-6-TRIFLUOROMETHYL-N-([1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL)BENZENESULFONAMIDES Dow AgroSciences LLC (US) 2003-07-02 EP disclosed
US-6433169-B1 FORM THE CORRESPONDING 2-FLUORIDE COMPOUND WITH AN ALCOHOL;ETHERIFICATION DOW AGROSCIENCES LLC 2002-08-13 US disclosed
WO-2002026742-A2 PROCESS FOR THE PREPARATION OF 2-ALKOXY-6-TRIFLUOROMETHYL-N-([1,2,4]TRIAZOLO[1,5-c]PYRIMIDIN-2-YL)BENZENESULFONAMIDES DOW AGROSCIENCES LLC (US) 2002-04-04 WO disclosed
US-20020037811-A1 Process for the preparation of 2-alkoxy-6-trifluoromethyl-N-([1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamides DOW AGROSCIENCES LLC 2002-03-28 US 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-20020037811-A1 Process for the preparation of 2-alkoxy-6-trifluoromethyl-N-([1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamides ALK, AZI2, PNPO SLC40A1 4264/4885SLC22A12 4528/4885GPBAR1 4594/4885

“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.