SCHEMBL4125767

SCHEMBL4125767

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.39
NAMPT P43490 4/20 0.37
NPC1 O15118 1/20 0.37
SLC16A3 O15427 2/20 0.37
SLC16A1 P53985 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MET P08581 1/20 0.36
GLO1 Q04760 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
GPR39 O43194 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
AKR1B1 P15121 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
SCHEMBL476471 0.90 NAMPT (0.35) NAMPT
SCHEMBL4120239 0.89 HTR6 (0.40) NFE2L2NAMPTPTGDR2
SCHEMBL4126131 0.88 HTT (0.37) NAMPTGAAPTGDR2
SCHEMBL18258908 0.87 NAMPT (0.35) NAMPTNPC1
SCHEMBL3703141 0.86 CA1 (0.44) NFE2L2NAMPTNPC1SLC16A3SLC16A1
SCHEMBL476390 0.85 HTT (0.39) NAMPTCA1CA2CA4CA7
SCHEMBL476366 0.85 NAMPT (0.38) NAMPTGLO1SLC40A1
SCHEMBL4125764 0.84 NFE2L2 (0.40) NFE2L2NAMPTSLC16A3SLC16A1MET
Hydrochloric Acid SCHEMBL3690326 0.83 NFE2L2 (0.42) NFE2L2NAMPTNPC1GAAMET
SCHEMBL3696003 0.83 NFE2L2 (0.39) NFE2L2NAMPTNPC1SLC16A3SLC16A1

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 2670/4885NAMPT 2129/4885NPC1 53/4885

“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.