SCHEMBL3817307

SCHEMBL3817307

CSc1nccc(-c2ccc(S(=O)(=O)Nc3cccc4cccnc34)s2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.61
PFKFB3 Q16875 1/20 0.60
SLC40A1 Q9NP59 9/20 0.59
NFKBIA P25963 6/20 0.59
RELA Q04206 5/20 0.59
TDP1 Q9NUW8 4/20 0.59
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
PFKFB4 Q16877 1/20 0.54
GLO1 Q04760 6/20 0.53
CCKBR P32239 1/20 0.51
AGTR1 P30556 2/20 0.51
G6PD P11413 1/20 0.51
METAP2 P50579 1/20 0.51
METAP1 P53582 1/20 0.51
PAX8 Q06710 1/20 0.51
ATM Q13315 1/20 0.51
HTT P42858 2/20 0.48
MITF O75030 1/20 0.48
S1PR4 O95977 1/20 0.48

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
SCHEMBL13633864 0.86 GABRA1 (0.62) GABRA1PFKFB3SLC40A1NFKBIARELA
SCHEMBL13633912 0.86 GABRA1 (0.59) GABRA1PFKFB3SLC40A1NFKBIARELA
SCHEMBL13633920 0.86 HTT (0.62) GABRA1PFKFB3SLC40A1NFKBIARELA
SCHEMBL13633846 0.86 SLC40A1 (0.58) GABRA1PFKFB3SLC40A1NFKBIARELA
SCHEMBL13633765 0.85 GABRA1 (0.56) GABRA1PFKFB3SLC40A1NFKBIARELA
SCHEMBL13633847 0.84 GABRA1 (0.55) GABRA1PFKFB3SLC40A1NFKBIARELA
SCHEMBL13633913 0.81 SLC40A1 (0.68) PFKFB3SLC40A1NFKBIARELATDP1
SCHEMBL13633882 0.80 SLC40A1 (0.63) PFKFB3SLC40A1NFKBIARELATDP1
SCHEMBL13633849 0.79 SLC40A1 (0.61) PFKFB3SLC40A1NFKBIARELATDP1
SCHEMBL13211036 0.78 GABRA1 (0.69) GABRA1PFKFB3PFKFB4CCKBRALDH1A1

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 14 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-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-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
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed
EP-1742627-A4 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON INC (US) 2009-08-26 EP disclosed
EP-1742627-A2 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. (US) 2007-01-17 EP disclosed
WO-2006078287-A9 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON INC (US) 2006-08-31 WO disclosed
WO-2006078287-A2 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. (US) 2006-07-27 WO disclosed
US-20060041006-A1 PDE4B inhibitors and uses therefor PLEXXIKON, INC. 2006-02-23 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 (2 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 2356/4885SLC40A1 4638/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A GABRA1 2865/4885PFKFB3 2356/4885SLC40A1 4638/4885

“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.