SCHEMBL4281632

SCHEMBL4281632

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
TSHR P16473 2/20 0.51
GAA P10253 2/20 0.51
POLB P06746 1/20 0.51
GFER P55789 1/20 0.51
MAPT P10636 5/20 0.49
LMNA P02545 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RAB9A P51151 1/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45

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
SCHEMBL4294936 0.78 ACLY (0.54) ALDH1A1TSHRGAAPOLBGFER
SCHEMBL16854979 0.77 EGFR (0.54) ALDH1A1GAAPOLBGFERMAPT
SCHEMBL1850031 0.75 NMT1 (0.59) ALDH1A1SMN1; SMN2HTTNMT1
SCHEMBL4287231 0.75 NR1I2 (0.56) ALDH1A1TSHRGAAPOLBGFER
SCHEMBL28439897 0.73 DHX9 (0.51) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL4289381 0.72 EGFR (0.70) ALDH1A1LMNAKMT2AMEN1CA1
SCHEMBL12539515 0.71 MEN1 (0.53) ALDH1A1TSHRGAAPOLBGFER
SCHEMBL812692 0.70 CA1 (0.63) ALDH1A1TSHRGAAPOLBGFER
SCHEMBL812919 0.70 TSHR (0.70) ALDH1A1TSHRGAAPOLBGFER
SCHEMBL31011096 0.70 HTT (0.47) ALDH1A1MAPTLMNAKMT2ASMN1; SMN2

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 ALDH1A1 694/4885TSHR 2251/4885GAA 2871/4885

“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.