SCHEMBL3701032

SCHEMBL3701032

O=Cc1cn(S(=O)(=O)c2ccccc2)c(-c2ccccc2F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.39
TP53 P04637 1/20 0.37
HTR6 P50406 9/20 0.37
LMNA P02545 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
PAX8 Q06710 1/20 0.37
KDM4E B2RXH2 1/20 0.36
UBE2N P61088 1/20 0.36
TNFSF11 O14788 1/20 0.36
CYP2C19 P33261 1/20 0.36
DRD2 P14416 2/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL3696262 0.85 PTGS2 (0.35) PTGS2PTGS1HTR6KDM4EUBE2N
SCHEMBL3702135 0.85 PTGS2 (0.35) PTGS2PTGS1TP53LMNAKMT2A
SCHEMBL28542480 0.83 HTR6 (0.44) PTGS2HTR6LMNAKMT2AMEN1
SCHEMBL3694093 0.81 HTT (0.41) TP53LMNAKMT2AALDH1A1HPGD
SCHEMBL20232964 0.81 PTGS2 (0.43) PTGS2PTGS1TP53HTR6LMNA
SCHEMBL3697877 0.80 KMT2A (0.40) PTGS2PTGS1KMT2AMEN1ALDH1A1
SCHEMBL3702782 0.79 PTGS2 (0.35) PTGS2PTGS1TP53LMNAKMT2A
SCHEMBL28523833 0.78 KDM4E (0.48) PTGS2HTR6LMNAKMT2AMEN1
SCHEMBL1357717 0.77 SMN1; SMN2 (0.40) PTGS2HTR6LMNAKMT2AALDH1A1
SCHEMBL1357669 0.76 NR1H2 (0.51) PTGS2LMNAALDH1A1HPGDHTT

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 5 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
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO 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 269/4885PTGS1 244/4885TP53 4668/4885

“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.