SCHEMBL4125570

SCHEMBL4125570

Cc1ccc(S(=O)(=O)c2cc(CN(C)C(=O)O)nn2-c2cc(F)ccc2C)cn1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.34
KMT2A Q03164 2/20 0.33
PTGS2 P35354 2/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
KCNH2 Q12809 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
LIMK2 P53671 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL4125954 0.93 PTGS2 (0.35) NAMPTKMT2APTGS2HTR2AHTR2C
SCHEMBL3704890 0.91 P2RX7 (0.34) NAMPTKMT2APTGS2HTR2AHTR2C
SCHEMBL4130773 0.91 ALDH1A1 (0.37) NAMPTKMT2AHTR2AHTR2CKCNH2
SCHEMBL3698449 0.91 NR2F2 (0.35) NAMPTPTGS2HTR2AHTR2CKCNH2
SCHEMBL4118130 0.88 NAMPT (0.39) NAMPTKMT2APTGDR2
SCHEMBL3700227 0.86 NAMPT (0.32) NAMPTPTGS2LIMK2
SCHEMBL4130428 0.86 SLC16A3 (0.34) NAMPTPTGS2HTR2AHTR2CKCNH2
SCHEMBL4125819 0.85 PTGS2 (0.33) NAMPTPTGS2HTR2AHTR2CKCNH2
SCHEMBL3709941 0.85 PTGS2 (0.33) NAMPTPTGS2
SCHEMBL4131057 0.85 PTGS2 (0.33) NAMPTPTGS2

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 2129/4885KMT2A 4776/4885PTGS2 269/4885

“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.