SCHEMBL3357372

SCHEMBL3357372

Cc1cc(C2(c3cccc(OS(=O)(=O)C(F)(F)F)c3)N=C(NC(=O)OC(C)(C)C)c3ncccc32)cc(C)n1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.35
SIRT2 Q8IXJ6 1/20 0.31
PKLR P30613 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL3359222 0.85 SYK (0.38) TDP2SIRT2
SCHEMBL3357376 0.76 CYP3A4 (0.32) TDP2PKLR
SCHEMBL3248773 0.74 BACE1 (0.37)
SCHEMBL3247377 0.74 SYK (0.37) TDP2
SCHEMBL6242484 0.67 KAT6A (0.47) TDP2
SCHEMBL2086235 0.67 HSP90AA1 (0.38)
SCHEMBL24149842 0.63 TRPV1 (0.46)
SCHEMBL115453 0.63 RXFP1 (0.43) SIRT2
SCHEMBL7919556 0.62 BACE1 (0.40) SIRT2
SCHEMBL28037372 0.62 SORT1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010056194-A1 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 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-20100125081-A1 NEW COMPOUNDS 574 PSEN1, PSEN2, BACE1 TDP2 130/4885SIRT2 1796/4885PKLR 3175/4885

“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.