SCHEMBL13633825

SCHEMBL13633825

COc1cc(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)c2ncccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.58
SLC40A1 Q9NP59 10/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
TDP1 Q9NUW8 5/20 0.52
CXCR2 P25025 2/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
AGTR1 P30556 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CXCR4 P61073 1/20 0.48
NFKBIA P25963 1/20 0.47
RELA Q04206 1/20 0.47

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
SCHEMBL13633881 0.88 PTGES2 (0.66) PTGES2SLC40A1MEN1KMT2ATDP1
SCHEMBL13633767 0.82 SLC40A1 (0.54) SLC40A1MEN1KMT2ATDP1CXCR2
SCHEMBL13633848 0.82 SLC40A1 (0.65) SLC40A1MEN1KMT2ATDP1CXCR2
SCHEMBL13633859 0.81 PTGES2 (0.57) PTGES2SLC40A1MEN1KMT2ATDP1
SCHEMBL13633766 0.81 SLC40A1 (0.58) SLC40A1MEN1KMT2ATDP1CXCR2
SCHEMBL3473840 0.79 PTGES2 (0.61) PTGES2MEN1KMT2APOLBLMNA
SCHEMBL15690858 0.78 PTGES2 (0.60) PTGES2MEN1KMT2APOLBLMNA
SCHEMBL13633846 0.77 SLC40A1 (0.58) SLC40A1MEN1KMT2ATDP1CXCR2
SCHEMBL13633879 0.77 MEN1 (0.71) SLC40A1MEN1KMT2ATDP1CXCR2
SCHEMBL13633764 0.77 MEN1 (0.71) SLC40A1MEN1KMT2ATDP1CXCR2

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 PTGES2 885/4885SLC40A1 4638/4885MEN1 2737/4885

“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.