SCHEMBL1837519

SCHEMBL1837519

CNCc1cn(S(=O)(=O)c2ccc(OC)cn2)c(-c2cccnc2F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.37
NFE2L2 Q16236 4/20 0.36
KAT8 Q9H7Z6 1/20 0.33
GRM4 Q14833 1/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
HTR6 P50406 1/20 0.32
PDE10A Q9Y233 1/20 0.32
ALDH1A1 P00352 2/20 0.31
PTK2 Q05397 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MET P08581 1/20 0.31
TOP2A P11388 1/20 0.31
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL1833777 0.99 GSK3B (0.36) GSK3BNFE2L2KAT8GRM4MMP2
SCHEMBL1831692 0.89 CASP6 (0.32) GRM4
Hydrochloric Acid SCHEMBL1835689 0.88 CASP6 (0.32) GRM4
SCHEMBL1833724 0.87 GSK3B (0.37) GSK3BNFE2L2MMP2MMP9MMP8
SCHEMBL1830969 0.87 GRM4 (0.39) GRM4
Hydrochloric Acid SCHEMBL1834940 0.86 GSK3B (0.36) GSK3BNFE2L2CTSDBACE1BACE2
SCHEMBL1832562 0.85 EED (0.35) GSK3BGRM4CTSDBACE1BACE2
SCHEMBL1580925 0.85 L3MBTL1 (0.33) KAT8HTR6
Hydrochloric Acid SCHEMBL2412504 0.84 L3MBTL1 (0.33) KAT8HTR6
SCHEMBL2199163 0.84 GSK3B (0.38) GSK3BNFE2L2KAT8GRM4MMP2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993598-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-31 US disclosed
US-8969387-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-03 US disclosed
US-20140031393-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-30 US disclosed
US-8592597-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
US-20110172275-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
EP-2318390-A1 PYRROLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2011-05-11 EP disclosed
WO-2010024451-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 WO disclosed
US-20100056577-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 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 (3 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-20100056577-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S GSK3B 4585/4885NFE2L2 3008/4885KAT8 2319/4885
US-20140031393-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S GSK3B 4585/4885NFE2L2 3008/4885KAT8 2319/4885
US-20110172275-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S GSK3B 4585/4885NFE2L2 3008/4885KAT8 2319/4885

“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.