SCHEMBL23557631

SCHEMBL23557631

NS(=O)(=O)Oc1ccc(-c2cn(-c3ccccc3OC(F)(F)F)nn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 5/20 0.61
▸ ABCG2 Q9UNQ0 2/20 0.42
▸ CA1 P00915 7/20 0.42
▸ CA2 P00918 7/20 0.42
▸ PTGS2 P35354 4/20 0.42
▸ CA5A P35218 4/20 0.42
▸ CA5B Q9Y2D0 4/20 0.42
▸ CA9 Q16790 4/20 0.41
▸ CA12 O43570 3/20 0.41
▸ KIF11 P52732 1/20 0.40
▸ BCHE P06276 1/20 0.39

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
SCHEMBL23557743 0.84 STS (0.73) STSABCG2CA1CA2PTGS2
SCHEMBL23557745 0.82 STS (0.67) STSCA1CA2PTGS2CA5A
SCHEMBL23557568 0.80 MIF (0.51) STSABCG2CA1CA2CA9
SCHEMBL23086226 0.78 STS (0.76) STSCA1CA2PTGS2CA5A
SCHEMBL23557655 0.77 STS (0.72) STSABCG2CA1CA2PTGS2
SCHEMBL23557705 0.76 STS (0.80) STSCA1CA2PTGS2CA5A
SCHEMBL18031116 0.76 ABCG2 (0.47) STSABCG2CA1CA2CA9
SCHEMBL29727007 0.75 OGT (0.59) ABCG2
SCHEMBL23557819 0.75 PTGS2 (0.72) STSCA1CA2PTGS2CA5A
SCHEMBL23557624 0.75 STS (0.64) STSCA1CA2PTGS2CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3790868-B1 SULFAMATE DERIVATIVES OF 4-(1-PHENYL-1H-[1,2,3]TRIAZOL-4-YL)-PHENOL, DERIVATIVES OF 4-(1-PHENYL-1H-[1,2,3]TRIAZOL-4-YL)-PHENOL, THEIR MEDICAL USE AND THE METHOD OF OBTAINING 4-(1-PHENYL-1H-[1,2,3]TRIAZOL-4-YL)-PHENYL SULFAMATE DERIVATIVES POLITECHNIKA GDANSKA (PL) 2023-01-11 — — EP disclosed
US-20210188785-A1 SULFAMATE DERIVATIVES OF 4-(1-PHENYL-1H-[1,2,3]TRIAZOL-4-YL)-PHENOL, DERIVATIVES OF 4-(1-PHENYL-1H-[1,2,3]TRIAZOL-4-YL)-PHENOL, THEIR MEDICAL USE AND THE METHOD OF OBTAINING 4-(1-PHENYL-1H-[1,2,3]TRIAZOL-4-YL)-PHENYL SULFAMATE DERIVATIVES POLITECHNIKA GDANSKA (PL) 2021-06-24 — — 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-20210188785-A1 SULFAMATE DERIVATIVES OF 4-(1-PHENYL-1H-[1,2,3]TRIAZOL-4-YL)-PHENOL, DERIVATIVES OF 4-(1-PHENYL-1H-[1,2,3]TRIAZOL-4-YL)-PHENOL, THEIR MEDICAL USE AND THE METHOD OF OBTAINING 4-(1-PHENYL-1H-[1,2,3]TRIAZOL-4-YL)-PHENYL SULFAMATE DERIVATIVES SULT1E1, SULT2A1, SULT1A1 STS 4/4885ABCG2 284/4885CA1 2557/4885

“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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