SCHEMBL13633847

SCHEMBL13633847

COc1ccc(NS(=O)(=O)c2ccc(-c3ccnc(SC)n3)s2)c2ncccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.55
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
AGTR1 P30556 1/20 0.52
PFKFB3 Q16875 1/20 0.51
SLC40A1 Q9NP59 5/20 0.49
PFKFB4 Q16877 1/20 0.47
CCKBR P32239 1/20 0.47
GHSR Q92847 3/20 0.41
NFKBIA P25963 2/20 0.41
RELA Q04206 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
GLO1 Q04760 1/20 0.41
S1PR4 O95977 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL13633765 0.87 GABRA1 (0.56) GABRA1MEN1KMT2APFKFB3SLC40A1
SCHEMBL3817307 0.84 GABRA1 (0.61) GABRA1MEN1KMT2AAGTR1PFKFB3
SCHEMBL13633920 0.82 HTT (0.62) GABRA1MEN1KMT2APFKFB3SLC40A1
SCHEMBL13633846 0.82 SLC40A1 (0.58) GABRA1MEN1KMT2AAGTR1PFKFB3
SCHEMBL13633864 0.79 GABRA1 (0.62) GABRA1MEN1KMT2APFKFB3SLC40A1
SCHEMBL13633862 0.78 GHSR (0.53) MEN1KMT2AAGTR1PFKFB3SLC40A1
SCHEMBL13633912 0.76 GABRA1 (0.59) GABRA1MEN1KMT2APFKFB3SLC40A1
SCHEMBL4207708 0.74 GABRA1 (0.47) GABRA1PFKFB3PFKFB4CCKBRGHSR
SCHEMBL13211036 0.73 GABRA1 (0.69) GABRA1PFKFB3PFKFB4CCKBRALDH1A1
SCHEMBL13633919 0.71 GABRA1 (0.72) GABRA1MEN1KMT2APFKFB3PFKFB4

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 2865/4885MEN1 2737/4885KMT2A 2234/4885

“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.