SCHEMBL70031

SCHEMBL70031

COC(=S)c1cnc(C)c(OC2CCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.43
PDE4D Q08499 8/20 0.40
PDE4A P27815 7/20 0.39
PDE4B Q07343 7/20 0.39
PDE4C Q08493 7/20 0.39
PDGFRB P09619 3/20 0.38
PDGFRA P16234 3/20 0.38
PDE5A O76074 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37

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
SCHEMBL69875 0.86 PIK3C3 (0.45) PIK3C3PDE4DPDE4APDE4BPDE4C
SCHEMBL69874 0.79 PIK3C3 (0.41) PIK3C3PDE4DPDE4APDE4BPDE4C
SCHEMBL71641 0.77 PDE4B (0.54) PIK3C3PDE4DPDE4APDE4BPDE4C
SCHEMBL70808 0.74 PIK3C3 (0.39) PIK3C3PDE4B
SCHEMBL16926503 0.73 PIK3C3 (0.45) PIK3C3PDE4DPDE4APDE4BPDE4C
SCHEMBL71913 0.71 XDH (0.33)
SCHEMBL17971753 0.69 OPRK1 (0.45) PDE4DPDE4APDE4BPDE4CPDGFRB
SCHEMBL72345 0.69 KDM4E (0.32)
SCHEMBL71189 0.69 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL70032 0.67 PDE4B (0.42) PDE4DPDE4APDE4BPDE4CPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129537-B2 Compounds as PDE IV and TNF inhibitors RHONE-POULENC RORER LIMITED (GB) 2012-03-06 US disclosed
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors AVENTIS PHARMA LIMITED (GB) 2010-09-23 US disclosed
US-7652144-B2 Compounds as PDE IV and TNF inhibitors AVENTIS PHARMA LIMITED (GB) 2010-01-26 US disclosed
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors AVENTIS PHARMA LIMITED (GB) 2008-06-05 US disclosed
US-7045660-B2 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2006-05-16 US disclosed
US-20060084809-A1 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2006-04-20 US disclosed
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2004-09-02 US disclosed
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors FENTON GARRY (GB) 2003-01-16 US disclosed
US-6472412-B1 Compounds as PDE IV and TNF inhibitors AVENTIS PHARMA LIMITED (GB) 2002-10-29 US disclosed
EP-0711282-B1 COMPOUNDS AS PDE IV AND TNF INHIBITORS AVENTIS PHARMA LTD (GB) 2002-06-05 EP disclosed
EP-0711282-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-05-15 EP disclosed
WO-1995004045-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-02-09 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 (5 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-20060084809-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE4C PIK3C3 133/4885PDE4D 6/4885PDE4A 1/4885
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A PIK3C3 131/4885PDE4D 7/4885PDE4A 1/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A PIK3C3 115/4885PDE4D 7/4885PDE4A 1/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A PIK3C3 115/4885PDE4D 7/4885PDE4A 1/4885
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A PIK3C3 131/4885PDE4D 7/4885PDE4A 1/4885

“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.