SCHEMBL4126584

SCHEMBL4126584

CN(Cc1cc(S(=O)(=O)c2cccnc2)c(-c2cccnc2F)s1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.37
PTGER2 P43116 8/20 0.35
FEN1 P39748 1/20 0.34
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.33
LMNA P02545 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 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
SCHEMBL4129256 0.91 NAMPT (0.39) NAMPTPTGER2ABCC9ABCC8KCNJ11
SCHEMBL4126083 0.90 GPBAR1 (0.36) NAMPTPTGER2GPBAR1LMNACA12
SCHEMBL3653190 0.88 ABCC9 (0.33) NAMPTPTGER2FEN1ABCC9ABCC8
SCHEMBL3653193 0.87 PTGER2 (0.35) NAMPTPTGER2FEN1ABCC9ABCC8
SCHEMBL3782033 0.86 NAMPT (0.37) NAMPTPTGER2FEN1TAS2R14GPBAR1
SCHEMBL3652974 0.82 CYP2A6 (0.39) NAMPTFEN1ABCC9ABCC8KCNJ11
SCHEMBL4126590 0.82 NAMPT (0.35) NAMPTFEN1ABCC9ABCC8KCNJ11
Fumaric Acid SCHEMBL3651792 0.82 TBXAS1 (0.36) NAMPTABCC9ABCC8KCNJ11KCNJ8
Fumaric Acid SCHEMBL3651794 0.82 TBXAS1 (0.36) NAMPTABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4118018 0.81 NAMPT (0.41) NAMPTPTGER2ABCC9ABCC8KCNJ11

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 NAMPT 2129/4885PTGER2 1424/4885FEN1 4656/4885

“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.