SCHEMBL4125819

SCHEMBL4125819

Cc1ccc(S(=O)(=O)c2cc(CN(C)C(=O)O)nn2-c2cccc(F)c2C)cn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.33
NAMPT P43490 7/20 0.33
SCN9A Q15858 3/20 0.33
SCN5A Q14524 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LIMK2 P53671 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXRA P19793 3/20 0.31
GRIN1 Q05586 3/20 0.31
GRIN2B Q13224 3/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
KCNH2 Q12809 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
SCHEMBL4135632 0.94 PTGS2 (0.32) PTGS2NAMPTATMSMN1; SMN2LIMK2
SCHEMBL4130428 0.94 SLC16A3 (0.34) PTGS2NAMPTATMSMN1; SMN2LIMK2
SCHEMBL3699795 0.92 P2RX7 (0.34) PTGS2NAMPTLIMK2KDM4EALDH1A1
SCHEMBL4131514 0.91 ALDH1A1 (0.39) SCN9ASCN5AATMSMN1; SMN2KDM4E
SCHEMBL3700227 0.90 NAMPT (0.32) PTGS2NAMPTLIMK2RXRAGRIN1
SCHEMBL4125804 0.89 NAMPT (0.36) NAMPTSMN1; SMN2
SCHEMBL4119622 0.89 RIPK1 (0.36) NAMPTKDM4EALDH1A1LMNAGAA
SCHEMBL3700700 0.88 HTR2C (0.38) NAMPTSCN9ASCN5AATMSMN1; SMN2
SCHEMBL3698449 0.87 NR2F2 (0.35) PTGS2NAMPTHTR2AHTR2CKCNH2
SCHEMBL4125954 0.87 PTGS2 (0.35) PTGS2NAMPTLIMK2RXRAGRIN1

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 269/4885NAMPT 2129/4885SCN9A 3101/4885

“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.