SCHEMBL4127145

SCHEMBL4127145

N#Cc1ncccc1-c1cc(CCNC(=O)O)sc1S(=O)(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
NAMPT P43490 6/20 0.36
CYP2C9 P11712 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
ABCB1 P08183 1/20 0.32
ABCC1 P33527 1/20 0.32
MAPK8 P45983 1/20 0.32
GRM4 Q14833 2/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 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
SCHEMBL4125619 0.91 ALDH1A1 (0.35) NAMPT
SCHEMBL4125903 0.85 NAMPT (0.38) HTTATMNAMPTCYP2C9TDP1
SCHEMBL4138207 0.85 NAMPT (0.38) HTTATMNAMPTCYP2C9TDP1
SCHEMBL4130696 0.82 SLC22A12 (0.36) NAMPTCYP2C9TDP1
Hydrochloric Acid SCHEMBL4131263 0.82 CYP2A6 (0.39) NAMPTCYP2C9ABCB1ABCC1
SCHEMBL4120230 0.82 NAMPT (0.38) NAMPT
SCHEMBL3652836 0.81 AGTR2 (0.34) NAMPTCYP2C9GRM4
SCHEMBL4127140 0.81 NAMPT (0.33) NAMPTABCB1ABCC1
SCHEMBL4117665 0.80 LIPG (0.34) NAMPT
SCHEMBL4125700 0.78 ALDH1A1 (0.38) NAMPT

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 HTT 3967/4885ATM 4850/4885NAMPT 2129/4885

“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.