SCHEMBL13633871

SCHEMBL13633871

O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc2cccnc12

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.65
SLC40A1 Q9NP59 12/20 0.63
ATM Q13315 1/20 0.60
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
NFKBIA P25963 1/20 0.59
RELA Q04206 1/20 0.59

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
SCHEMBL14919762 0.84 MEN1 (0.73) MCL1SLC40A1ATMMEN1KMT2A
SCHEMBL19040920 0.79 PKLR (0.65)
SCHEMBL16286079 0.78 SLC40A1 (0.78) SLC40A1MEN1KMT2ANFKBIARELA
SCHEMBL22315265 0.78 ATM (0.74) SLC40A1ATMMEN1KMT2A
SCHEMBL2702515 0.77 PKLR (0.63)
SCHEMBL11973115 0.77 SLC40A1 (0.83) SLC40A1MEN1KMT2ANFKBIARELA
SCHEMBL414126 0.77 SLC40A1 (1.00) SLC40A1MEN1KMT2ANFKBIARELA
SCHEMBL1507919 0.76 SLC40A1 (0.76) SLC40A1ATMMEN1KMT2ANFKBIA
SCHEMBL30854809 0.76 SLC40A1 (0.76) SLC40A1ATMMEN1KMT2ANFKBIA
SCHEMBL30854823 0.76 SLC40A1 (0.70) SLC40A1ATMMEN1KMT2A

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 MCL1 4509/4885SLC40A1 4638/4885ATM 2379/4885

“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.