SCHEMBL22388776

SCHEMBL22388776

C#CCOc1ccc(S)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 6/20 0.53
▸ CA4 P22748 6/20 0.53
▸ CA9 Q16790 6/20 0.53
▸ CA1 P00915 2/20 0.53
▸ GSTP1 P09211 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA7 P43166 1/20 0.53
▸ MAOA P21397 8/20 0.49
▸ MAOB P27338 8/20 0.49
▸ ACHE P22303 1/20 0.49
▸ PTGS2 P35354 2/20 0.42
▸ POLB P06746 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP1A1 P04798 1/20 0.38

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
SCHEMBL5704167 0.88 CA12 (0.63) CA12CA4CA9CA1GSTP1
Hydrochloric Acid SCHEMBL21694040 0.85 CA12 (0.61) CA12CA4CA9CA1GSTP1
Benzene SCHEMBL11657937 0.82 MAOB (0.40) CA12CA4CA9CA1GSTP1
SCHEMBL126399 0.82 CA12 (0.53) CA12CA4CA9CA1GSTP1
SCHEMBL9155218 0.81 GSTP1 (0.68) CA12CA4CA9CA1GSTP1
SCHEMBL15800551 0.81 CA12 (0.57) CA12CA4CA9CA1GSTP1
SCHEMBL26993902 0.81 APP (0.38) CA12CA4CA9CA1GSTP1
SCHEMBL5684218 0.79 GSTP1 (0.60) CA12CA4CA9CA1GSTP1
SCHEMBL5981846 0.77 CA12 (0.53) CA12CA4CA9CA1GSTP1
SCHEMBL3805100 0.77 CA12 (0.53) CA12CA4CA9CA1GSTP1

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-20200277268-A1 PENTAFLUOROPHENYL SULFONAMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF DALRIADA THERAPEUTICS INC. (CA) 2020-09-03 — — 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-20200277268-A1 PENTAFLUOROPHENYL SULFONAMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF MKI67, PKD1, ETV6 CA12 146/4885CA4 412/4885CA9 311/4885

“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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