SCHEMBL4120655

SCHEMBL4120655

COc1cccc(S(=O)(=O)c2sc(CCNC(=O)O)cc2-c2cccnc2F)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.39
NPC1 O15118 1/20 0.39
GLO1 Q04760 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38
NAMPT P43490 5/20 0.38
GSK3B P49841 1/20 0.37
AKR1C3 P42330 1/20 0.36
MEP1B Q16820 1/20 0.36
GAA P10253 1/20 0.36
MTNR1B P49286 1/20 0.36
KAT6A Q92794 1/20 0.36

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
SCHEMBL4125700 0.88 ALDH1A1 (0.38) NFE2L2NAMPT
SCHEMBL4125903 0.88 NAMPT (0.38) SLC40A1NAMPTKAT6A
SCHEMBL4119401 0.88 KAT6A (0.44) AKR1C3MEP1BGAAMTNR1BKAT6A
SCHEMBL4132234 0.87 ATM (0.38) NPC1NAMPTKAT6A
SCHEMBL4125873 0.86 CYP1A2 (0.33) NPC1NAMPTAKR1C3
SCHEMBL4120137 0.85 LIPG (0.32) NAMPT
SCHEMBL4137731 0.85 NFE2L2 (0.38) NFE2L2NPC1GLO1SLC40A1NAMPT
SCHEMBL4117665 0.85 LIPG (0.34) NAMPT
SCHEMBL4120230 0.84 NAMPT (0.38) GLO1SLC40A1NAMPT
SCHEMBL4120645 0.84 NFE2L2 (0.41) NFE2L2NPC1GLO1SLC40A1NAMPT

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 2670/4885NPC1 53/4885GLO1 3197/4885

“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.