SCHEMBL4131739

SCHEMBL4131739

COc1cccc(S(=O)(=O)c2sc(CCNC(=O)O)cc2Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MTNR1B P49286 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1B1 P15121 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
NAMPT P43490 2/20 0.39
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CLK1 P49759 1/20 0.38
ITGAV P06756 1/20 0.38
LOX P28300 1/20 0.37
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37

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
SCHEMBL4126798 0.85 CA2 (0.38) CA1CA2CA7CA9CA14
SCHEMBL4129168 0.84 NAMPT (0.36) NAMPTABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4119401 0.82 KAT6A (0.44) MEP1BCA1CA2CA7CA9
SCHEMBL4131734 0.80 TAS2R14 (0.42) MEP1BMTNR1BAKR1B1PTGDR2HSD11B1
SCHEMBL4120655 0.80 NFE2L2 (0.39) MEP1BMTNR1BAKR1C3NAMPT
SCHEMBL3651797 0.76 TAS2R14 (0.39) MEP1BMTNR1BAKR1B1PTGDR2HSD11B1
SCHEMBL2837809 0.76 MTNR1A (0.44) MTNR1BALDH1A1CLK1
SCHEMBL3651795 0.74 MEP1B (0.38) MEP1BMTNR1BHSD11B1ALDH1A1CLK1
SCHEMBL4119867 0.73 MAPT (0.41) MTNR1BPTGDR2NAMPTALDH1A1CLK1
SCHEMBL4999263 0.71 AKR1C3 (0.44) MEP1BCA1CA2CA7CA9

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 MEP1B 940/4885CA1 975/4885CA2 335/4885

“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.