SCHEMBL13633870

SCHEMBL13633870

CSc1nccc(-c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)s2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 5/20 0.70
GABRA1 P14867 1/20 0.64
PFKFB4 Q16877 1/20 0.64
MAPT P10636 2/20 0.58
CCKBR P32239 1/20 0.47
KMT2A Q03164 1/20 0.47
CDK1 P06493 2/20 0.44
CCNB1 P14635 2/20 0.44
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
CDK7 P50613 2/20 0.44
CCNH P51946 2/20 0.44
CCNA1 P78396 2/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
CCND1 P24385 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
SCHEMBL13633888 0.91 GABRA1 (0.67) PFKFB3GABRA1PFKFB4MAPTCCKBR
SCHEMBL788220 0.82 PFKFB3 (1.00) PFKFB3GABRA1PFKFB4CCKBRMMP8
SCHEMBL13633919 0.82 GABRA1 (0.72) PFKFB3GABRA1PFKFB4MAPTCCKBR
SCHEMBL12335543 0.80 GABRA1 (0.70) PFKFB3GABRA1PFKFB4CCKBRKMT2A
SCHEMBL12334565 0.80 GABRA1 (0.68) PFKFB3GABRA1PFKFB4CCKBRKMT2A
SCHEMBL793435 0.78 PFKFB4 (0.73) PFKFB3GABRA1PFKFB4CCKBRMMP8
SCHEMBL21857101 0.78 PFKFB4 (1.00) PFKFB3GABRA1PFKFB4
SCHEMBL2825468 0.77 PFKFB3 (0.83) PFKFB3GABRA1PFKFB4MAPTCCKBR
SCHEMBL8280458 0.76 GABRA1 (0.77) PFKFB3GABRA1PFKFB4MAPTCCKBR
SCHEMBL13211036 0.76 GABRA1 (0.69) PFKFB3GABRA1PFKFB4CCKBRCCNA2

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 PFKFB3 2356/4885GABRA1 2865/4885PFKFB4 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.