SCHEMBL4282959

SCHEMBL4282959

O=S(=O)(Nc1cnn(Cc2ccccc2)c1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R8 Q9NYW2 2/20 0.63
HDAC3 O15379 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
IL1RN P18510 1/20 0.49
KEAP1 Q14145 1/20 0.49
ERAP1 Q9NZ08 1/20 0.49
LIMK2 P53671 3/20 0.48
LIMK1 P53667 2/20 0.48
HTR6 P50406 1/20 0.47
SCD O00767 2/20 0.46
SCD5 Q86SK9 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ITK Q08881 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
AR P10275 1/20 0.46

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
SCHEMBL4282988 0.84 HDAC3 (0.51) TAS2R8HDAC3HDAC8NCOR2L3MBTL1
SCHEMBL4281646 0.83 KMT2A (0.50) TAS2R8HDAC3HDAC8NCOR2L3MBTL1
SCHEMBL4287231 0.81 NR1I2 (0.56) TAS2R8HDAC3HDAC8NCOR2L3MBTL1
SCHEMBL4279784 0.78 AR (0.51) TAS2R8HDAC3HDAC8NCOR2L3MBTL1
SCHEMBL23389286 0.77 TAS2R8 (0.48) TAS2R8HDAC3HDAC8NCOR2SCD
SCHEMBL4289381 0.76 EGFR (0.70) TAS2R8IL1RNKEAP1ERAP1ALDH1A1
SCHEMBL27876387 0.76 HDAC3 (0.44) TAS2R8HDAC3HDAC8NCOR2L3MBTL1
SCHEMBL19223061 0.75 L3MBTL1 (0.57) TAS2R8HDAC3HDAC8NCOR2L3MBTL1
SCHEMBL22246866 0.75 PIK3CD (0.67)
SCHEMBL4285713 0.75 EGFR (0.70) TAS2R8IL1RNKEAP1ERAP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP TAS2R8 4508/4885HDAC3 6/4885HDAC8 176/4885

“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.