SCHEMBL4137731

SCHEMBL4137731

COc1cccc(S(=O)(=O)c2sc(CCNC(=O)O)nc2-c2cccnc2F)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.38
GLO1 Q04760 1/20 0.37
SLC40A1 Q9NP59 1/20 0.37
NAMPT P43490 5/20 0.37
NPC1 O15118 1/20 0.37
GSK3B P49841 1/20 0.36
MAPK14 Q16539 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 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
SCHEMBL4119867 0.89 MAPT (0.41) NAMPTPTGDR2MTNR1B
SCHEMBL4127584 0.89 HTR6 (0.35) NFE2L2NAMPT
SCHEMBL4130442 0.88 KMT2A (0.38) NAMPT
SCHEMBL4139211 0.88 LIPG (0.36) SLC40A1NAMPT
SCHEMBL4125431 0.87 DHODH (0.36) NFE2L2SLC40A1NAMPTPTGDR2
SCHEMBL3648852 0.85 NFE2L2 (0.39) NFE2L2GLO1SLC40A1NAMPTPTGDR2
SCHEMBL4120655 0.85 NFE2L2 (0.39) NFE2L2GLO1SLC40A1NAMPTNPC1
SCHEMBL4131245 0.84 ALDH1A1 (0.34) SLC40A1NAMPTABCC9ABCC8KCNJ11
SCHEMBL4118456 0.84 LIPG (0.33) SLC40A1MAPK14PTGDR2
Hydrochloric Acid SCHEMBL3655968 0.84 NFE2L2 (0.41) NFE2L2GLO1SLC40A1NAMPTNPC1

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 2670/4885GLO1 3197/4885SLC40A1 2890/4885

“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.