SCHEMBL4130995

SCHEMBL4130995

CN(Cc1cc(S(=O)(=O)c2cccnc2)n(-c2cccc(F)c2F)n1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.36
PTGER2 P43116 14/20 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
TAS2R14 Q9NYV8 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
TP53 P04637 1/20 0.32
POLB P06746 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
SCHEMBL4125804 0.93 NAMPT (0.36) NAMPTPTGER2CHRNB2CHRNB4CHRNA3
SCHEMBL4131198 0.93 NAMPT (0.39) NAMPTPTGER2CHRNB2CHRNB4CHRNA3
SCHEMBL4123658 0.91 TAS2R14 (0.35) NAMPTPTGER2TAS2R14
SCHEMBL4135426 0.91 NAMPT (0.36) NAMPTPTGER2CHRNB2CHRNB4CHRNA3
SCHEMBL4127061 0.91 SLC16A3 (0.34)
SCHEMBL4135632 0.88 PTGS2 (0.32) NAMPT
SCHEMBL3695801 0.88 HTR2C (0.38) NAMPTPTGER2CHRNB2CHRNB4CHRNA3
SCHEMBL4126972 0.87 NAMPT (0.36) NAMPTPTGER2TAS2R14ABCC9ABCC8
SCHEMBL3695804 0.87 ABCC9 (0.34) NAMPTPTGER2CHRNB2CHRNB4CHRNA3
SCHEMBL4126102 0.86 NAMPT (0.37) NAMPTPTGER2CHRNB2CHRNB4CHRNA3

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.