SCHEMBL4125700

SCHEMBL4125700

O=C(O)NCCc1cc(-c2cccnc2F)c(S(=O)(=O)c2cccc(F)c2)s1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
HTR6 P50406 5/20 0.36
NAMPT P43490 3/20 0.36
NFE2L2 Q16236 5/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35

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
SCHEMBL4125903 0.92 NAMPT (0.38) NAMPT
SCHEMBL4130108 0.91 NFE2L2 (0.41) ALDH1A1HTR6NAMPTNFE2L2
SCHEMBL4132234 0.91 ATM (0.38) ALDH1A1NAMPT
SCHEMBL4125873 0.90 CYP1A2 (0.33) ALDH1A1NAMPT
SCHEMBL4120137 0.89 LIPG (0.32) NAMPT
SCHEMBL4117665 0.89 LIPG (0.34) NAMPT
SCHEMBL4125619 0.88 ALDH1A1 (0.35) ALDH1A1HTR6NAMPTNFE2L2
SCHEMBL4120655 0.88 NFE2L2 (0.39) NAMPTNFE2L2
SCHEMBL4120230 0.88 NAMPT (0.38) NAMPT
SCHEMBL4117748 0.87 LIPG (0.32)

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 ALDH1A1 1497/4885HTR6 3676/4885NAMPT 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.