SCHEMBL13633919

SCHEMBL13633919

CSc1nccc(-c2ccc(S(=O)(=O)Nc3ccc4ccccc4c3)s2)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.72
PFKFB3 Q16875 3/20 0.69
PFKFB4 Q16877 1/20 0.62
CCKBR P32239 1/20 0.50
MMP8 P22894 4/20 0.46
MMP3 P08254 2/20 0.46
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PKM P14618 1/20 0.43
PKLR P30613 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
AKT1 P31749 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL8280458 0.82 GABRA1 (0.77) GABRA1PFKFB3PFKFB4CCKBRMMP8
SCHEMBL788220 0.82 PFKFB3 (1.00) GABRA1PFKFB3PFKFB4CCKBRMMP8
SCHEMBL13633870 0.82 PFKFB3 (0.70) GABRA1PFKFB3PFKFB4CCKBRMMP8
SCHEMBL13633864 0.81 GABRA1 (0.62) GABRA1PFKFB3PFKFB4CCKBRMMP8
SCHEMBL13633888 0.80 GABRA1 (0.67) GABRA1PFKFB3PFKFB4CCKBRMMP8
SCHEMBL13211036 0.79 GABRA1 (0.69) GABRA1PFKFB3PFKFB4CCKBRMMP8
SCHEMBL13633912 0.78 GABRA1 (0.59) GABRA1PFKFB3PFKFB4CCKBRMMP8
SCHEMBL3817307 0.78 GABRA1 (0.61) GABRA1PFKFB3PFKFB4CCKBRLMNA
SCHEMBL2825468 0.78 PFKFB3 (0.83) GABRA1PFKFB3PFKFB4CCKBRMMP8
SCHEMBL12335543 0.78 GABRA1 (0.70) GABRA1PFKFB3PFKFB4CCKBRMMP8

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 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 (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-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PDE4B, PDE7B, PDE4A GABRA1 2865/4885PFKFB3 2356/4885PFKFB4 1821/4885

“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.