SCHEMBL3703141

SCHEMBL3703141

COc1cccc(S(=O)(=O)c2cc(CO)nn2-c2cccnc2F)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA9 Q16790 4/20 0.44
NFE2L2 Q16236 6/20 0.44
MET P08581 1/20 0.40
GLO1 Q04760 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
NAMPT P43490 2/20 0.36
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL476443 0.90 CA1 (0.45) CA1CA2CA9NFE2L2LMNA
Hydrochloric Acid SCHEMBL3690326 0.88 NFE2L2 (0.42) NFE2L2METGLO1SLC40A1LMNA
SCHEMBL4125764 0.87 NFE2L2 (0.40) NFE2L2METGLO1SLC40A1SLC16A3
SCHEMBL476363 0.87 HTR6 (0.39) CA1CA2CA9SLC40A1NAMPT
SCHEMBL3696003 0.86 NFE2L2 (0.39) NFE2L2METGLO1SLC40A1SLC16A3
SCHEMBL4125767 0.86 NFE2L2 (0.39) CA1CA2NFE2L2METGLO1
SCHEMBL3694113 0.85 CA1 (0.40) CA1CA2CA9NAMPT
SCHEMBL476311 0.85 CA1 (0.35) CA1CA2CA9NAMPT
SCHEMBL3705968 0.84 SLC16A3 (0.39) NFE2L2METSLC16A3SLC16A1
SCHEMBL3705969 0.84 SLC16A3 (0.39) NFE2L2METSLC16A3SLC16A1

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 CA1 975/4885CA2 335/4885CA9 662/4885

“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.