SCHEMBL4131734

SCHEMBL4131734

COc1cccc(S(=O)(=O)c2sc(CN(C)C(=O)O)cc2Br)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 4/20 0.42
MEP1B Q16820 1/20 0.41
HSD17B2 P37059 3/20 0.41
PGR P06401 2/20 0.40
LIMK2 P53671 1/20 0.40
MTNR1B P49286 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
HSD11B1 P28845 1/20 0.39
AKR1B1 P15121 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM5 P08912 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
SCHEMBL3651795 0.87 MEP1B (0.38) TAS2R14MEP1BHSD17B2LIMK2MTNR1B
SCHEMBL4126794 0.86 CA12 (0.39) L3MBTL1
SCHEMBL3651797 0.85 TAS2R14 (0.39) TAS2R14MEP1BHSD17B2PGRMTNR1B
SCHEMBL4129164 0.85 HTR6 (0.38) TAS2R14LIMK2
SCHEMBL3655896 0.82 KAT6A (0.42) TAS2R14MEP1BHSD17B2PGRLIMK2
SCHEMBL4131739 0.80 MEP1B (0.42) MEP1BMTNR1BCLK1HSD11B1AKR1B1
SCHEMBL3652101 0.78 KAT6A (0.36) TAS2R14MEP1BHSD17B2LIMK2MTNR1B
SCHEMBL3652103 0.77 KAT6A (0.36) TAS2R14MEP1BHSD17B2PGRLIMK2
SCHEMBL3654644 0.75 HTR2C (0.38)
SCHEMBL2837806 0.75 EDNRA (0.44) HSD17B2MTNR1BCLK1DYRK1A

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-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 TAS2R14 329/4885MEP1B 940/4885HSD17B2 651/4885

“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.