SCHEMBL13633885

SCHEMBL13633885

O=S(=O)(Nc1cccc2cccnc12)c1ccc(-c2cc(C(F)(F)F)on2)s1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 8/20 0.56
NFKBIA P25963 3/20 0.56
RELA Q04206 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAPT P10636 4/20 0.53
POLB P06746 2/20 0.53
RXFP1 Q9HBX9 1/20 0.51
GLO1 Q04760 1/20 0.50
CCKBR P32239 1/20 0.50
TP53 P04637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
PPARG P37231 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
SCHEMBL13633767 0.86 SLC40A1 (0.54) SLC40A1NFKBIARELAMEN1KMT2A
SCHEMBL13633884 0.86 MAPT (0.49) SLC40A1MAPTPOLBRXFP1CCKBR
SCHEMBL13633882 0.81 SLC40A1 (0.63) SLC40A1NFKBIARELAMEN1KMT2A
SCHEMBL13633881 0.79 PTGES2 (0.66) SLC40A1NFKBIARELAMEN1KMT2A
SCHEMBL13633913 0.79 SLC40A1 (0.68) SLC40A1NFKBIARELAMEN1KMT2A
SCHEMBL858210 0.77 MAPT (0.59) MAPTPOLBCCKBRTP53L3MBTL1
SCHEMBL15882461 0.75 L3MBTL1 (0.61) MAPTPOLBRXFP1CCKBRTP53
SCHEMBL13633849 0.74 SLC40A1 (0.61) SLC40A1NFKBIARELAMEN1KMT2A
SCHEMBL13633914 0.74 SLC40A1 (0.61) SLC40A1NFKBIARELAMEN1KMT2A
SCHEMBL3817307 0.73 GABRA1 (0.61) SLC40A1NFKBIARELAMEN1KMT2A

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 SLC40A1 4638/4885NFKBIA 980/4885RELA 4160/4885

“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.