SCHEMBL1877262

SCHEMBL1877262

CN(C)C=CC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C#N)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 7/20 0.52
P4HB P07237 3/20 0.49
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
HTT P42858 3/20 0.47
GAA P10253 3/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
BRD1 O95696 1/20 0.45
BRPF1 P55201 1/20 0.45
NR1H3 Q13133 2/20 0.45
RECQL P46063 1/20 0.44
NR1H2 P55055 1/20 0.43

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
SCHEMBL1877261 1.00 SIRT2 (0.52) SIRT2P4HBALDH1A1MAPTHTT
SCHEMBL1873928 0.90 NR1H3 (0.51) SIRT2P4HBALDH1A1MAPTHTT
SCHEMBL1873930 0.90 NR1H3 (0.51) SIRT2P4HBALDH1A1MAPTHTT
SCHEMBL1880407 0.86 ALDH1A1 (0.58) ALDH1A1MAPTHTTGAAHPGD
SCHEMBL1880405 0.86 ALDH1A1 (0.58) ALDH1A1MAPTHTTGAAHPGD
SCHEMBL1879891 0.85 MAPT (0.60) SIRT2ALDH1A1MAPTHTTGAA
SCHEMBL1879890 0.85 MAPT (0.60) SIRT2ALDH1A1MAPTHTTGAA
SCHEMBL5531935 0.83 MAPT (0.56) ALDH1A1MAPTHTTGAAHPGD
SCHEMBL5531936 0.83 MAPT (0.56) ALDH1A1MAPTHTTGAAHPGD
SCHEMBL1878523 0.82 MAPT (0.65) P4HBALDH1A1MAPTHTTGAA

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
US-7947688-B2 N-[3-(3-substituted-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-sulfonamides, and compositions, and methods related thereto FERRER INTERNACIONAL, S.A. (ES) 2011-05-24 US disclosed
EP-1648897-B1 N- [3-(3-SUBSTITUTED-PYRAZOLO[1,5-A] PYRIMIDIN-7-YL) PHENYL]-SULFONAMIDES, AND COMPOSITIONS, AND METHODS RELATED THERETO FERRER INT (ES) 2008-12-10 EP disclosed
US-20060270690-A1 N-[3-(3-substituted-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-sulfonamides, and compositions, and methods related thereto FERRER INTERNACIONAL S.A. (ES) 2006-11-30 US disclosed
EP-1648897-A1 N- [3-(3-SUBSTITUTED-PYRAZOLO[1,5-A] PYRIMIDIN-7-YL) PHENYL]-SULFONAMIDES, AND COMPOSITIONS, AND METHODS RELATED THERETO FERRER INTERNACIONAL, S.A. (ES) 2006-04-26 EP disclosed
WO-2005014597-A1 N-[3-(3-SUBSTITUTED-PYRAZOLO[1,5-a]PYRIMIDIN-7-YL)PHENYL]-SULFONAMIDES, AND COMPOSITIONS, AND METHODS RELATED THERETO FERRER INTERNACIONAL, S.A. (ES) 2005-02-17 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 (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-20060270690-A1 N-[3-(3-substituted-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-sulfonamides, and compositions, and methods related thereto GABRA2, GABRA1, GABRA3 SIRT2 1131/4885P4HB 1576/4885ALDH1A1 277/4885

“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.