SCHEMBL23557657

SCHEMBL23557657

Oc1ccc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.66
▸ P2RY14 Q15391 8/20 0.64
▸ HSD17B1 P14061 2/20 0.57
▸ HSD17B2 P37059 2/20 0.57
▸ S1PR1 P21453 2/20 0.57
▸ NOTUM Q6P988 1/20 0.55
▸ OPRD1 P41143 2/20 0.55
▸ SIGMAR1 Q99720 1/20 0.55
▸ MIF P14174 2/20 0.55
▸ CA12 O43570 2/20 0.54
▸ CA9 Q16790 2/20 0.54
▸ KCNH2 Q12809 1/20 0.52
▸ KIF11 P52732 1/20 0.51
▸ S1PR3 Q99500 1/20 0.51
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50

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
SCHEMBL14152110 0.87 HSD17B1 (0.71) PTGS2HSD17B1HSD17B2MIFCA12
SCHEMBL23528100 0.87 P2RY14 (0.62) PTGS2P2RY14HSD17B1HSD17B2OPRD1
SCHEMBL12420376 0.85 PTGS2 (0.65) PTGS2P2RY14S1PR1OPRD1SIGMAR1
SCHEMBL18031616 0.83 HSD17B1 (0.75) PTGS2P2RY14HSD17B1HSD17B2NOTUM
SCHEMBL23557634 0.83 HSD17B1 (0.71) PTGS2P2RY14HSD17B1HSD17B2NOTUM
SCHEMBL182551 0.83 P2RY14 (0.78) PTGS2P2RY14S1PR1OPRD1SIGMAR1
SCHEMBL18031110 0.83 HSD17B1 (0.71) PTGS2P2RY14HSD17B1HSD17B2NOTUM
SCHEMBL23557718 0.83 PTGS2 (0.63) PTGS2HSD17B1HSD17B2MIFCA12
SCHEMBL18031100 0.83 PTGS2 (0.63) PTGS2HSD17B1HSD17B2MIFCA12
SCHEMBL18031102 0.82 CA1 (0.56) PTGS2P2RY14HSD17B1HSD17B2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTGS2 238/4885P2RY14 124/4885HSD17B1 136/4885

“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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