SCHEMBL3069337

SCHEMBL3069337

Cc1nn(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HPGD P15428 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
AR P10275 2/20 0.42
LRRK2 Q5S007 1/20 0.42
POLB P06746 2/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 4/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
CYP1A2 P05177 1/20 0.40
HTT P42858 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 3/20 0.39
USP2 O75604 1/20 0.39
CASP1 P29466 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL3079569 0.92 AR (0.42) ALDH1A1HPGDARLRRK2POLB
SCHEMBL3083275 0.92 SMN1; SMN2 (0.43) ALDH1A1HPGDNPSR1ARLRRK2
SCHEMBL3085321 0.87 AR (0.39) ALDH1A1HPGDARKMT2AMEN1
SCHEMBL3076101 0.86 AR (0.48) ARPOLBTSHRKMT2AHTT
SCHEMBL3063716 0.86 AR (0.44) ARPTGDR2
SCHEMBL3076100 0.86 AR (0.46) ARGAAPTGDR2
SCHEMBL3069375 0.85 PTGDR2 (0.47) ARPTGDR2
SCHEMBL3069350 0.84 AR (0.44) ARGAAPTGDR2
SCHEMBL3076093 0.83 AR (0.62) HPGDARTSHRGAAUSP2
SCHEMBL3086746 0.82 AR (0.43) 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 7 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
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 ALDH1A1 809/4885HPGD 669/4885NPSR1 114/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 ALDH1A1 816/4885HPGD 708/4885NPSR1 106/4885

“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.