SCHEMBL23557829

SCHEMBL23557829

Cc1cc(C)cc(-n2cc(-c3ccc(O)cc3)nn2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 2/20 0.64
▸ HSD17B2 P37059 2/20 0.64
▸ FLT3 P36888 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ SNCA P37840 1/20 0.51
▸ MIF P14174 7/20 0.50
▸ PTGS2 P35354 2/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ CYP1B1 Q16678 1/20 0.49
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ CA5A P35218 2/20 0.48
▸ CA5B Q9Y2D0 2/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ P2RY14 Q15391 1/20 0.47
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ RXRA P19793 2/20 0.43
▸ GRIN1 Q05586 2/20 0.43

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
SCHEMBL23557659 0.87 HSD17B1 (0.76) HSD17B1HSD17B2FLT3MAPTSNCA
SCHEMBL18031103 0.86 FLT3 (0.69) HSD17B1HSD17B2FLT3MAPTSNCA
SCHEMBL31574333 0.85 HSD17B1 (0.74) HSD17B1HSD17B2FLT3MAPTSNCA
SCHEMBL28308963 0.84 PTGS2 (0.56) HSD17B1HSD17B2FLT3PTGS2PTGS1
SCHEMBL14152110 0.83 HSD17B1 (0.71) HSD17B1HSD17B2FLT3MAPTSNCA
SCHEMBL23557617 0.82 CYP1B1 (0.75) HSD17B1HSD17B2MAPTSNCAMIF
SCHEMBL23557700 0.81 HSD17B1 (0.64) HSD17B1HSD17B2MAPTSNCAMIF
SCHEMBL23557661 0.81 HSD17B1 (0.64) HSD17B1HSD17B2FLT3MAPTSNCA
SCHEMBL23557701 0.81 HSD17B1 (0.64) HSD17B1HSD17B2FLT3MAPTSNCA
SCHEMBL23528103 0.81 HSD17B1 (0.64) HSD17B1HSD17B2FLT3MAPTSNCA

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 HSD17B1 136/4885HSD17B2 221/4885FLT3 431/4885

“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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