SCHEMBL3702135

SCHEMBL3702135

O=Cc1cn(S(=O)(=O)c2ccoc2)c(-c2ccccc2F)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
TP53 P04637 2/20 0.32
KDM4E B2RXH2 2/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 2/20 0.31
RECQL P46063 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
UBE2N P61088 1/20 0.30
ALDH3A1 P30838 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
SCHEMBL3701032 0.85 PTGS2 (0.39) PTGS2PTGS1TP53KDM4EKMT2A
SCHEMBL3696262 0.79 PTGS2 (0.35) PTGS2PTGS1KDM4EUBE2NALDH3A1
Fumaric Acid SCHEMBL3693956 0.77 AKR1C4 (0.33) PTGS2POLBKMT2ATDP1MAPT
SCHEMBL3702782 0.76 PTGS2 (0.35) PTGS2PTGS1TP53KDM4EPOLB
SCHEMBL3694093 0.75 HTT (0.41) TP53KDM4EPOLBKMT2AMAPT
SCHEMBL3697877 0.74 KMT2A (0.40) PTGS2PTGS1KDM4EPOLBKMT2A
SCHEMBL1357717 0.69 SMN1; SMN2 (0.40) PTGS2KMT2AALDH1A1LMNAHPGD
SCHEMBL28542480 0.69 HTR6 (0.44) PTGS2KDM4EKMT2AALDH1A1LMNA
SCHEMBL20232964 0.67 PTGS2 (0.43) PTGS2PTGS1TP53KMT2AMAPT
SCHEMBL3693095 0.66 KMT2A (0.43) TP53KDM4EPOLBKMT2ATDP1

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.