SCHEMBL4125764

SCHEMBL4125764

COc1cccc(S(=O)(=O)c2cc(CN(C)C(=O)O)nn2-c2cccnc2F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.40
SLC16A3 O15427 7/20 0.39
SLC16A1 P53985 5/20 0.39
MET P08581 1/20 0.37
TAS2R14 Q9NYV8 2/20 0.36
MTNR1B P49286 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
CYP11B1 P15538 1/20 0.35
HSD11B1 P28845 1/20 0.35
NAMPT P43490 1/20 0.35
GLO1 Q04760 1/20 0.35
SLC40A1 Q9NP59 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
SCHEMBL3705968 0.89 SLC16A3 (0.39) NFE2L2SLC16A3SLC16A1MET
SCHEMBL3702686 0.89 HTR6 (0.40) NFE2L2
SCHEMBL4126123 0.89 NAMPT (0.35) SLC16A3SLC16A1NAMPT
SCHEMBL476470 0.88 HTR6 (0.36) TAS2R14NAMPTSLC40A1
SCHEMBL18258907 0.88 HTR6 (0.32) NAMPT
SCHEMBL3705969 0.88 SLC16A3 (0.39) NFE2L2SLC16A3SLC16A1METTAS2R14
SCHEMBL3703141 0.87 CA1 (0.44) NFE2L2SLC16A3SLC16A1METMTNR1B
SCHEMBL476388 0.85 PKM (0.38)
SCHEMBL476365 0.85 APLNR (0.35) NAMPTGLO1SLC40A1
SCHEMBL4125767 0.84 NFE2L2 (0.39) NFE2L2SLC16A3SLC16A1METMTNR1B

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 NFE2L2 2670/4885SLC16A3 2809/4885SLC16A1 2925/4885

“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.