SCHEMBL3694089

SCHEMBL3694089

CCOC(=O)c1cc(S(=O)(=O)c2cccc(OC)c2)n(-c2cccnc2F)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.41
TP53 P04637 3/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.39
THRB P10828 2/20 0.39
CHRNA7 P36544 1/20 0.39
CA9 Q16790 1/20 0.38
MET P08581 1/20 0.37
MTNR1B P49286 1/20 0.37
ELANE P08246 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL476502 0.91 TP53 (0.45) TP53POLBCHRNA7CA9ALDH1A1
SCHEMBL476397 0.90 CHRNA7 (0.40) TP53MAPTTHRBCHRNA7CA9
SCHEMBL3691249 0.89 CA9 (0.46) TP53POLBMAPTTHRBCHRNA7
SCHEMBL476334 0.88 CHRNA7 (0.39) TP53MAPTTHRBCHRNA7CA9
SCHEMBL3692589 0.88 NPSR1 (0.45) TP53POLBMAPTTHRBCHRNA7
SCHEMBL3689795 0.86 TP53 (0.45) TP53POLBMAPTTHRBCA9
SCHEMBL476450 0.86 CHRNA7 (0.50) TP53THRBCHRNA7CA9ALDH1A1
SCHEMBL3703141 0.82 CA1 (0.44) NFE2L2CA9METMTNR1B
SCHEMBL3696003 0.80 NFE2L2 (0.39) NFE2L2METMTNR1B
SCHEMBL4125767 0.80 NFE2L2 (0.39) NFE2L2MAPTMETMTNR1B

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 NFE2L2 2670/4885TP53 4668/4885POLB 4579/4885

“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.