SCHEMBL3075827

SCHEMBL3075827

Cc1nn(Cc2ccc(S(=O)(=O)NCC(C)(C)O)cc2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.43
PIK3CG P48736 7/20 0.39
PIK3CA P42336 6/20 0.39
IKBKB O14920 2/20 0.39
CHUK O15111 2/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.38
PIK3CD O00329 4/20 0.38
PIK3CB P42338 4/20 0.38
MTOR P42345 2/20 0.38
PIK3C3 Q8NEB9 1/20 0.38

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
SCHEMBL3085341 0.88 PTGDR2 (0.42) ARPIK3CGPIK3CAIKBKBCHUK
SCHEMBL3083284 0.88 AR (0.41) ARPTGDR2
SCHEMBL3086746 0.86 AR (0.43) ARPTGDR2
SCHEMBL27815961 0.86 PTGDR2 (0.42) ARPTGDR2
SCHEMBL3063716 0.84 AR (0.44) ARPTGDR2
SCHEMBL3076100 0.84 AR (0.46) ARPTGDR2
SCHEMBL3075408 0.83 AR (0.62) ARPTGDR2
SCHEMBL3069375 0.83 PTGDR2 (0.47) ARPTGDR2
SCHEMBL3084117 0.83 PGR (0.41) ARPTGDR2
SCHEMBL3069350 0.82 AR (0.44) ARPTGDR2

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-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 EP disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 EP disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 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 (2 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-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE AR, NR5A1, NR3C2 AR 1/4885PIK3CG 4244/4885PIK3CA 3275/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885PIK3CG 4184/4885PIK3CA 3188/4885

“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.