SCHEMBL4131198

SCHEMBL4131198

CN(Cc1cc(S(=O)(=O)c2cccnc2)n(-c2ccccc2F)n1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.39
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.34
SLC16A3 O15427 2/20 0.34
SLC16A1 P53985 2/20 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
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGER2 P43116 4/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 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
SCHEMBL4125804 0.93 NAMPT (0.36) NAMPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4130995 0.93 NAMPT (0.36) NAMPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4135426 0.91 NAMPT (0.36) NAMPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4126972 0.91 NAMPT (0.36) NAMPTL3MBTL1LMNAABCC9ABCC8
SCHEMBL4126102 0.90 NAMPT (0.37) NAMPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4126098 0.89 NAMPT (0.39) NAMPTLMNASLC16A3SLC16A1KDM4E
SCHEMBL4130428 0.88 SLC16A3 (0.34) NAMPTSLC16A3SLC16A1CYP3A4SMN1; SMN2
SCHEMBL3808572 0.88 HTR2C (0.41) NAMPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4123658 0.87 TAS2R14 (0.35) NAMPTTAS2R14PTGER2KDM4E
SCHEMBL3808574 0.87 ABCC9 (0.35) NAMPTCHRNB2CHRNB4CHRNA3CHRNA4

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 2129/4885CHRNB2 4275/4885CHRNB4 4050/4885

“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.