SCHEMBL4125954

SCHEMBL4125954

Cc1ccc(S(=O)(=O)c2cc(CN(C)C(=O)O)nn2-c2cc(F)ccc2F)cn1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.35
HTR2A P28223 4/20 0.33
HTR2C P28335 3/20 0.33
SLC6A4 P31645 1/20 0.33
NAMPT P43490 4/20 0.33
KCNH2 Q12809 3/20 0.32
LIMK2 P53671 2/20 0.31
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
PTGDR2 Q9Y5Y4 3/20 0.31
KMT2A Q03164 1/20 0.31
MAPK14 Q16539 1/20 0.31
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30

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
SCHEMBL4131057 0.93 PTGS2 (0.33) PTGS2NAMPTRXRAGRIN1GRIN2B
SCHEMBL4125570 0.93 NAMPT (0.34) PTGS2HTR2AHTR2CNAMPTKCNH2
SCHEMBL3698449 0.93 NR2F2 (0.35) PTGS2HTR2AHTR2CSLC6A4NAMPT
SCHEMBL3704890 0.91 P2RX7 (0.34) PTGS2HTR2AHTR2CNAMPTKCNH2
SCHEMBL3812566 0.90 ALDH1A1 (0.38) HTR2AHTR2CSLC6A4KCNH2LIMK2
SCHEMBL4130428 0.90 SLC16A3 (0.34) PTGS2HTR2AHTR2CNAMPTKCNH2
SCHEMBL4125819 0.87 PTGS2 (0.33) PTGS2HTR2AHTR2CNAMPTKCNH2
SCHEMBL3709941 0.87 PTGS2 (0.33) PTGS2NAMPT
SCHEMBL4126972 0.87 NAMPT (0.36) NAMPTPTGDR2
SCHEMBL4125913 0.87 KMT2A (0.36) HTR2AHTR2CSLC6A4KCNH2LIMK2

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 PTGS2 269/4885HTR2A 3643/4885HTR2C 2565/4885

“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.