SCHEMBL69875

SCHEMBL69875

Cc1ncc(C(O)=S)cc1OC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.45
KMT2A Q03164 1/20 0.38
PDE4D Q08499 10/20 0.37
PDGFRB P09619 3/20 0.37
PDGFRA P16234 3/20 0.37
PDE4B Q07343 9/20 0.36
PDE4A P27815 8/20 0.36
PDE4C Q08493 8/20 0.36
MAPK14 Q16539 1/20 0.34
DGAT2 Q96PD7 1/20 0.34

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
SCHEMBL70031 0.86 PIK3C3 (0.43) PIK3C3PDE4DPDGFRBPDGFRAPDE4B
SCHEMBL69874 0.81 PIK3C3 (0.41) PIK3C3KMT2APDE4DPDE4BPDE4A
SCHEMBL71641 0.77 PDE4B (0.54) PIK3C3PDE4DPDE4BPDE4APDE4C
SCHEMBL16926503 0.75 PIK3C3 (0.45) PIK3C3KMT2APDE4DPDGFRBPDGFRA
SCHEMBL70287 0.72 PIK3C3 (0.40) PIK3C3
SCHEMBL72986 0.69 KMT2A (0.54) KMT2APDE4DPDE4BPDE4APDE4C
SCHEMBL7362666 0.68 KMT2A (0.47) KMT2APDE4DPDE4BPDE4APDE4C
SCHEMBL17971753 0.66 OPRK1 (0.45) KMT2APDE4DPDGFRBPDE4BPDE4A
SCHEMBL71189 0.65 PDE4D (0.46) KMT2APDE4DPDE4BPDE4APDE4C
SCHEMBL7356246 0.65 PDE4D (0.46) KMT2APDE4DPDE4BPDE4APDE4C

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 133/4885KMT2A 2521/4885PDE4D 6/4885
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A PIK3C3 131/4885KMT2A 2429/4885PDE4D 7/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A PIK3C3 115/4885KMT2A 2662/4885PDE4D 7/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A PIK3C3 115/4885KMT2A 2662/4885PDE4D 7/4885
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A PIK3C3 131/4885KMT2A 2429/4885PDE4D 7/4885

“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.