SCHEMBL1831979

SCHEMBL1831979

CNCc1cn(S(=O)(=O)c2ccc(F)c(C)n2)c(-c2cccnc2F)c1F

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.32
EED O75530 4/20 0.31
SUZ12 Q15022 3/20 0.31
EZH2 Q15910 3/20 0.31
PTGS2 P35354 2/20 0.31
HTR5A P47898 1/20 0.30
TGFBR2 P37173 1/20 0.30
RBBP4 Q09028 1/20 0.30
AEBP2 Q6ZN18 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
SCHEMBL1833552 0.92 PTGS2 (0.31) PTGS2
SCHEMBL1763045 0.87 SLC40A1 (0.36)
Hydrochloric Acid SCHEMBL2410086 0.86 SLC40A1 (0.35)
SCHEMBL1581093 0.86 GRIA2 (0.30)
Hydrochloric Acid SCHEMBL2415801 0.85
SCHEMBL1580925 0.85 L3MBTL1 (0.33)
SCHEMBL1830844 0.85 DCTPP1 (0.33) EEDSUZ12EZH2PTGS2
SCHEMBL1830969 0.85 GRM4 (0.39)
SCHEMBL1831692 0.84 CASP6 (0.32)
Hydrochloric Acid SCHEMBL2412504 0.84 L3MBTL1 (0.33)

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 9 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
EP-2318390-B1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-05-01 EP 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 TGFBR1 3934/4885EED 3413/4885SUZ12 2816/4885
US-20140031393-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S TGFBR1 3934/4885EED 3413/4885SUZ12 2816/4885
US-20110172275-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S TGFBR1 3934/4885EED 3413/4885SUZ12 2816/4885

“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.