SCHEMBL4287231

SCHEMBL4287231

Cc1cc(C)c(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.56
TAS2R8 Q9NYW2 3/20 0.50
ALDH1A1 P00352 1/20 0.50
CA1 P00915 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
GFER P55789 1/20 0.48
SCD5 Q86SK9 6/20 0.47
SCD O00767 5/20 0.47
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
NR3C1 P04150 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
HDAC3 O15379 1/20 0.44

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
SCHEMBL12539515 0.81 MEN1 (0.53) NR1I2TAS2R8ALDH1A1CA1L3MBTL1
SCHEMBL4282959 0.81 TAS2R8 (0.63) TAS2R8ALDH1A1L3MBTL1SCD5SCD
SCHEMBL23389286 0.80 TAS2R8 (0.48) TAS2R8ALDH1A1GAATSHRSCD5
SCHEMBL4282988 0.79 HDAC3 (0.51) TAS2R8ALDH1A1L3MBTL1SCD5SCD
SCHEMBL4294936 0.79 ACLY (0.54) NR1I2ALDH1A1POLBGAATSHR
SCHEMBL4281646 0.76 KMT2A (0.50) TAS2R8ALDH1A1L3MBTL1SCD5SCD
SCHEMBL4281632 0.75 ALDH1A1 (0.54) ALDH1A1CA1POLBGAATSHR
SCHEMBL812919 0.74 TSHR (0.70) ALDH1A1CA1L3MBTL1POLBGAA
SCHEMBL4279784 0.73 AR (0.51) TAS2R8ALDH1A1L3MBTL1SCD5SCD
SCHEMBL19223061 0.72 L3MBTL1 (0.57) TAS2R8ALDH1A1L3MBTL1SCD5SCD

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 NR1I2 98/4885TAS2R8 4508/4885ALDH1A1 694/4885

“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.