SCHEMBL4131429

SCHEMBL4131429

CN(Cc1cc(S(=O)(=O)c2cccnc2)n(-c2cc(F)ccc2Cl)n1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 4/20 0.36
NFE2L2 Q16236 4/20 0.36
TAS2R14 Q9NYV8 1/20 0.35
PTGER2 P43116 2/20 0.35
NAMPT P43490 7/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
DPP4 P27487 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL4126972 0.91 NAMPT (0.36) TAS2R14PTGER2NAMPTPTGDR2POLB
SCHEMBL4118130 0.90 NAMPT (0.39) TAS2R14PTGER2NAMPTPTGDR2ALDH1A1
SCHEMBL4126098 0.89 NAMPT (0.39) KEAP1NFE2L2NAMPTLMNAMAPT
SCHEMBL3705293 0.88 HTR2C (0.39) KEAP1NFE2L2PTGER2NAMPTPOLB
SCHEMBL3704890 0.88 P2RX7 (0.34) NAMPTPTGDR2LMNAALDH1A1
SCHEMBL4123658 0.88 TAS2R14 (0.35) KEAP1NFE2L2TAS2R14PTGER2NAMPT
SCHEMBL3705296 0.88 NAMPT (0.34) KEAP1NFE2L2TAS2R14PTGER2NAMPT
SCHEMBL3697696 0.87 ALDH1A1 (0.38) NFE2L2ALDH1A1MAPT
SCHEMBL4135426 0.86 NAMPT (0.36) KEAP1NFE2L2TAS2R14PTGER2NAMPT
SCHEMBL4131198 0.85 NAMPT (0.39) TAS2R14PTGER2NAMPTLMNATP53

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 KEAP1 1892/4885NFE2L2 2670/4885TAS2R14 329/4885

“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.