SCHEMBL3655896

SCHEMBL3655896

COc1cccc(S(=O)(=O)c2sc(CN(C)C(=O)O)cc2-c2ccccc2F)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.42
TAS2R14 Q9NYV8 3/20 0.41
LIMK2 P53671 1/20 0.40
HSD17B2 P37059 1/20 0.39
PGR P06401 2/20 0.38
NFE2L2 Q16236 2/20 0.38
KEAP1 Q14145 1/20 0.38
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
HSD11B1 P28845 1/20 0.38
MEP1B Q16820 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CHRM5 P08912 1/20 0.36
MTNR1B P49286 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL4120645 0.88 NFE2L2 (0.41) TAS2R14LIMK2HSD17B2NFE2L2HSD11B1
SCHEMBL3652101 0.84 KAT6A (0.36) KAT6ATAS2R14LIMK2HSD17B2NFE2L2
SCHEMBL3653735 0.83 TAS2R14 (0.39) KAT6ATAS2R14LIMK2HSD17B2PGR
SCHEMBL3652103 0.82 KAT6A (0.36) KAT6ATAS2R14LIMK2HSD17B2PGR
SCHEMBL4119401 0.82 KAT6A (0.44) KAT6APGRCLK1HSD11B1MEP1B
SCHEMBL4131734 0.82 TAS2R14 (0.42) TAS2R14LIMK2HSD17B2PGRNFE2L2
Fumaric Acid SCHEMBL3645618 0.81 KAT6A (0.45) KAT6APGRNFE2L2KEAP1HSD11B1
Fumaric Acid SCHEMBL4132158 0.81 KAT6A (0.45) KAT6APGRNFE2L2KEAP1HSD11B1
SCHEMBL2839244 0.78 EDNRA (0.42) HSD17B2CLK1DYRK1AL3MBTL1MTNR1B
SCHEMBL4132668 0.78 KAT6A (0.33) KAT6ALIMK2HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 KAT6A 4058/4885TAS2R14 329/4885LIMK2 4499/4885

“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.