SCHEMBL4126972

SCHEMBL4126972

CN(Cc1cc(S(=O)(=O)c2cccnc2)n(-c2cc(F)ccc2F)n1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
DPP4 P27487 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
PTGER2 P43116 2/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
USP2 O75604 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33

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
SCHEMBL4118130 0.92 NAMPT (0.39) NAMPTTAS2R14PTGER2ALDH1A1PTGDR2
SCHEMBL4131429 0.91 KEAP1 (0.36) NAMPTTAS2R14DPP4DPP9DPP7
SCHEMBL4131198 0.91 NAMPT (0.39) NAMPTTAS2R14PTGER2ALDH1A1KDM4E
SCHEMBL4125913 0.91 KMT2A (0.36) TAS2R14PTGDR2MAPT
SCHEMBL3693157 0.88 HTR2C (0.43) NAMPTDPP4DPP9DPP7POLB
SCHEMBL4125954 0.87 PTGS2 (0.35) NAMPTPTGDR2
SCHEMBL4125804 0.87 NAMPT (0.36) NAMPTTAS2R14PTGER2POLBMAPT
SCHEMBL4130995 0.87 NAMPT (0.36) NAMPTTAS2R14PTGER2POLBTP53
SCHEMBL3693161 0.87 NAMPT (0.36) NAMPTTAS2R14DPP4DPP9DPP7
SCHEMBL4126102 0.86 NAMPT (0.37) NAMPTTAS2R14PTGER2ALDH1A1MAPT

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 2129/4885TAS2R14 329/4885DPP4 784/4885

“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.