SCHEMBL13633765

SCHEMBL13633765

CSc1nccc(-c2ccc(S(=O)(=O)Nc3ccc(Br)c4cccnc34)s2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.56
SLC40A1 Q9NP59 5/20 0.53
PFKFB3 Q16875 1/20 0.53
CCKBR P32239 1/20 0.52
CKS1B P61024 2/20 0.51
SKP2 Q13309 2/20 0.51
PFKFB4 Q16877 1/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NFKBIA P25963 3/20 0.47
RELA Q04206 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
MMP8 P22894 4/20 0.42
MMP3 P08254 2/20 0.42
S1PR4 O95977 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL13633847 0.87 GABRA1 (0.55) GABRA1SLC40A1PFKFB3CCKBRPFKFB4
SCHEMBL3817307 0.85 GABRA1 (0.61) GABRA1SLC40A1PFKFB3CCKBRCKS1B
SCHEMBL13633920 0.82 HTT (0.62) GABRA1SLC40A1PFKFB3CCKBRPFKFB4
SCHEMBL13633864 0.80 GABRA1 (0.62) GABRA1SLC40A1PFKFB3CCKBRPFKFB4
SCHEMBL13633846 0.78 SLC40A1 (0.58) GABRA1SLC40A1PFKFB3CCKBRCKS1B
SCHEMBL13633912 0.78 GABRA1 (0.59) GABRA1SLC40A1PFKFB3CCKBRPFKFB4
SCHEMBL13633860 0.76 SLC40A1 (0.54) SLC40A1PFKFB3CKS1BSKP2MEN1
SCHEMBL13211036 0.74 GABRA1 (0.69) GABRA1PFKFB3CCKBRPFKFB4MMP8
SCHEMBL13633919 0.72 GABRA1 (0.72) GABRA1PFKFB3CCKBRPFKFB4MEN1
SCHEMBL12179846 0.72 GABRA1 (0.61) GABRA1PFKFB3CCKBRPFKFB4MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160068490-A1 UBIQUITINATION INHIBITORS MIDCAP FINANCIAL TRUST 2016-03-10 US claimed
US-10040766-B2 Ubiquitination inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-08-07 US disclosed
US-20160068490-A1 UBIQUITINATION INHIBITORS MIDCAP FINANCIAL TRUST 2016-03-10 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-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 (3 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-20160068490-A1 UBIQUITINATION INHIBITORS MDM2, RBX1, NEDD4 GABRA1 3032/4885SLC40A1 4627/4885PFKFB3 4409/4885
US-10040766-B2 Ubiquitination inhibitors MDM2, RBX1, NEDD4 GABRA1 3032/4885SLC40A1 4627/4885PFKFB3 4409/4885
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PDE4B, PDE7B, PDE4A GABRA1 2865/4885SLC40A1 4638/4885PFKFB3 2356/4885

“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.