SCHEMBL70809

SCHEMBL70809

COC(=O)c1cnc(SC)c(OC(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.40
MAPK1 P28482 3/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ULK1 O75385 1/20 0.36
XDH P47989 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
TP53 P04637 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 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
SCHEMBL7359867 0.85 XDH (0.46) KMT2AXDHKCNQ3KCNQ2
SCHEMBL978405 0.79 MAPK1 (0.41) PSMD14MAPK1ATMKDM4EL3MBTL1
SCHEMBL7360592 0.79 PSMD14 (0.39) PSMD14MAPK1ATMKDM4EL3MBTL1
SCHEMBL71914 0.77 KDM4E (0.50) PSMD14MAPK1ATMKDM4EL3MBTL1
SCHEMBL7390353 0.76 PDE4D (0.51) KCNQ3KCNQ2GFER
SCHEMBL24529610 0.76 MAPK1 (0.47) PSMD14MAPK1ATMKDM4EL3MBTL1
SCHEMBL72346 0.76 KDM4E (0.46) PSMD14MAPK1ATMKDM4EL3MBTL1
SCHEMBL10297739 0.76 MAPK1 (0.44) PSMD14MAPK1ATMKDM4EL3MBTL1
SCHEMBL70032 0.76 PDE4B (0.42) KMT2A
SCHEMBL70307 0.74 PDE4D (0.51)

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 15 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-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP disclosed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP disclosed
EP-0711282-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-05-15 EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO 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 PSMD14 3157/4885MAPK1 759/4885ATM 2607/4885
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A PSMD14 3107/4885MAPK1 791/4885ATM 2459/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A PSMD14 3034/4885MAPK1 818/4885ATM 2592/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A PSMD14 3034/4885MAPK1 818/4885ATM 2592/4885
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A PSMD14 3107/4885MAPK1 791/4885ATM 2459/4885

“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.