SCHEMBL4125804

SCHEMBL4125804

Cc1c(F)cccc1-n1nc(CN(C)C(=O)O)cc1S(=O)(=O)c1cccnc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.36
PTGER2 P43116 11/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 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
GPBAR1 Q8TDU6 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4130995 0.93 NAMPT (0.36) NAMPTPTGER2CHRNB2CHRNB4CHRNA3
SCHEMBL4131198 0.93 NAMPT (0.39) NAMPTPTGER2CHRNB2CHRNB4CHRNA3
SCHEMBL4135426 0.91 NAMPT (0.36) NAMPTPTGER2CHRNB2CHRNB4CHRNA3
SCHEMBL4125819 0.89 PTGS2 (0.33) NAMPTSMN1; SMN2
SCHEMBL4126102 0.88 NAMPT (0.37) NAMPTPTGER2CHRNB2CHRNB4CHRNA3
SCHEMBL3699812 0.88 HTR2C (0.38) PTGER2ADAMTS5ABCC9ABCC8KCNJ11
SCHEMBL4123658 0.88 TAS2R14 (0.35) NAMPTPTGER2TAS2R14KEAP1NFE2L2
SCHEMBL4126972 0.87 NAMPT (0.36) NAMPTPTGER2TP53POLBTAS2R14
SCHEMBL3699813 0.87 ABCC9 (0.34) NAMPTPTGER2CHRNB2CHRNB4CHRNA3
SCHEMBL4118130 0.86 NAMPT (0.39) NAMPTPTGER2ADAMTS5TAS2R14MAPT

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 1424/4885CHRNB2 4275/4885

“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.