SCHEMBL3303735

SCHEMBL3303735

COc1ccc(C(=O)Cc2ccncc2)c2c1OC1(CCSCC1)O2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.43
HSP90AA1 P07900 4/20 0.38
PDE4B Q07343 3/20 0.37
CYP19A1 P11511 1/20 0.36
PDE4D Q08499 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
POLB P06746 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 2/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.35
PDE4C Q08493 1/20 0.35

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
SCHEMBL5722859 0.90 PDE4A (0.45) PDE4AHSP90AA1PDE4BCYP19A1PDE4D
Hydrochloric Acid SCHEMBL5723084 0.89 PDE4A (0.44) PDE4AHSP90AA1PDE4BCYP19A1PDE4D
SCHEMBL18857435 0.84 PDE4A (0.48) PDE4APDE4BPDE4DPDE3BPDE3A
SCHEMBL3307492 0.84 PDE4A (0.46) PDE4AHSP90AA1PDE4BPDE4DPDE3B
SCHEMBL3306949 0.83 PDE4A (0.44) PDE4AHSP90AA1PDE4BPDE4DPDE3B
SCHEMBL3299351 0.83 PDE4A (0.62) PDE4APDE4BPDE4DPDE3BPDE3A
SCHEMBL8173646 0.82 PDE4A (0.40) PDE4AHSP90AA1PDE4BPDE4DPDE3B
SCHEMBL13395963 0.81 PDE4A (0.39) PDE4AHSP90AA1PDE4BPDE4DPDE3B
SCHEMBL3305354 0.81 PDE4A (0.49) PDE4APDE4BPDE4DPDE3BPDE3A
SCHEMBL3306371 0.80 PDE4A (0.44) PDE4APDE4BPDE4DPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114951-B9 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2015-09-02 EP claimed
US-8338431-B2 Phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2012-12-25 US claimed
US-20100099688-A1 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2010-04-22 US claimed
EP-2114951-B9 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2015-09-02 EP disclosed
US-8338431-B2 Phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2012-12-25 US disclosed
US-8338431-B2 Phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2012-12-25 US disclosed
US-8338431-B2 Phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2012-12-25 US disclosed
US-20100099688-A1 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2010-04-22 US disclosed
US-20100099688-A1 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2010-04-22 US disclosed
US-20100099688-A1 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2010-04-22 US disclosed
WO-2008104175-A2 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2008-09-04 WO 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-20100099688-A1 NOVEL PHOSPHODIESTERASE INHIBITORS PDE3A, PDE5A, PDE3B PDE4A 6/4885HSP90AA1 3396/4885PDE4B 10/4885

“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.