SCHEMBL17258804

SCHEMBL17258804

Cc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)c(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 4/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33
GLA P06280 1/20 0.33
FFAR1 O14842 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL31652674 0.86 PTPN1 (0.36) HCRTR1HCRTR2KDM4EALDH1A1GAA
SCHEMBL1627549 0.86 PTPN1 (0.36) HCRTR1HCRTR2KDM4EALDH1A1GAA
SCHEMBL21048901 0.81 PTGS2 (0.36) ALDH1A1HTTUSP8USP7MAPT
SCHEMBL17258915 0.81 VCAM1 (0.39) KDM4EALDH1A1GAAHPGDHTT
SCHEMBL21048771 0.79 GLA (0.41) KDM4EALDH1A1GAAUSP8GLA
SCHEMBL17258696 0.77 ALDH1A1 (0.49) KDM4EALDH1A1GAAHTTUSP8
SCHEMBL12310789 0.76 ALDH1A1 (0.46) HCRTR1HCRTR2KDM4EALDH1A1GAA
SCHEMBL1628853 0.75 ALDH1A1 (0.37) KDM4EALDH1A1GAAHPGDCYP3A4
SCHEMBL6573160 0.74 TRPV4 (0.36) ALDH1A1HTT
SCHEMBL15228357 0.73 PIK3CD (0.44) KDM4EALDH1A1CYP3A4CYP2D6CYP2C9

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 5 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
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

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 HCRTR1 230/4885HCRTR2 244/4885KDM4E 4113/4885
US-20150329542-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES HRH2, HRH4, HRH1 HCRTR1 855/4885HCRTR2 232/4885KDM4E 4660/4885
US-20170071946-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES HRH2, HRH4, HRH1 HCRTR1 855/4885HCRTR2 232/4885KDM4E 4660/4885

“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.