SCHEMBL17259042

SCHEMBL17259042

COc1cccc(S(=O)(=O)N(C)c2ccccc2C#N)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.57
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
TAS2R14 Q9NYV8 1/20 0.47
KEAP1 Q14145 3/20 0.47
NFE2L2 Q16236 2/20 0.46
SIRT2 Q8IXJ6 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
AR P10275 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL2892311 0.83 C5AR1 (0.53) KEAP1ALDH1A1HTT
Hydrochloric Acid SCHEMBL21048836 0.75 PGR (0.56) PGRCYP11B1CYP11B2TAS2R14KEAP1
SCHEMBL29782844 0.75 PGR (0.61) PGRCYP11B1CYP11B2TAS2R14KEAP1
SCHEMBL4952964 0.75 PGR (0.61) PGRCYP11B1CYP11B2TAS2R14KEAP1
SCHEMBL21048757 0.72 KEAP1 (0.45) PGRTAS2R14KEAP1NFE2L2L3MBTL1
SCHEMBL30468495 0.72 ALDH1A1 (0.51) ALDH1A1HTTL3MBTL1
SCHEMBL1291364 0.72 ALDH1A1 (0.51) ALDH1A1HTTL3MBTL1
SCHEMBL10186896 0.72 PGR (0.70) PGRCYP11B1CYP11B2TAS2R14KEAP1
SCHEMBL21048817 0.71 PGR (0.54) PGRTAS2R14KEAP1NFE2L2HSD11B1
SCHEMBL17259068 0.71 KMT2A (0.40) PGRALDH1A1L3MBTL1AR

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
EP-3143021-B1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER (US) 2019-06-12 EP disclosed
US-10022376-B2 Pyrazolopyridines and pyrazolopyrimidines PFIZER INC. (US) 2018-07-17 US disclosed
EP-3143021-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES Pfizer Inc (US) 2017-03-22 EP disclosed
US-20170071946-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER INC. (US) 2017-03-16 US disclosed
US-9518052-B2 Pyrazolopyridines and pyrazolopyrimidines PFIZER INC. (US) 2016-12-13 US disclosed
US-20150329542-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER INC. 2015-11-19 US disclosed
WO-2015173683-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER INC. (US) 2015-11-19 WO 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 (3 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-10022376-B2 Pyrazolopyridines and pyrazolopyrimidines CBR3, HRH4, REN PGR 574/4885CYP11B1 1248/4885CYP11B2 1011/4885
US-20150329542-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES HRH2, HRH4, HRH1 PGR 474/4885CYP11B1 513/4885CYP11B2 274/4885
US-20170071946-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES HRH2, HRH4, HRH1 PGR 474/4885CYP11B1 513/4885CYP11B2 274/4885

“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.