SCHEMBL73149

SCHEMBL73149

COc1cnc(C(=O)O)cc1OC1CCSC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.43
FPR2 P25090 2/20 0.42
PDE4A P27815 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
GRM5 P41594 1/20 0.39
ECE1 P42892 1/20 0.38
KMT2A Q03164 1/20 0.37
TRPC6 Q9Y210 3/20 0.36
GRM4 Q14833 1/20 0.36
KMO O15229 2/20 0.36
P4HTM Q9NXG6 1/20 0.36
GPR35 Q9HC97 1/20 0.35
ALOX15 P16050 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
SCHEMBL70707 0.89 PDE4B (0.43) PDE4BFPR2PDE4APDE4CPDE4D
SCHEMBL72957 0.82 PDE4A (0.58) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL71596 0.80 PDE4D (0.56) PDE4BFPR2PDE4APDE4CPDE4D
SCHEMBL71863 0.79 PDE4D (0.47) PDE4BFPR2PDE4APDE4CPDE4D
SCHEMBL7354727 0.78 CA12 (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL7357361 0.77 PDE4D (0.52) PDE4BPDE4APDE4CPDE4DKMO
SCHEMBL21045697 0.77 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL18009392 0.77 GPR35 (0.49) ECE1KMOP4HTMGPR35ALOX15
SCHEMBL29368707 0.77 GPR35 (0.49) ECE1KMOP4HTMGPR35ALOX15
SCHEMBL21045780 0.76 TRPC6 (0.55) PDE4BPDE4APDE4CPDE4DKMT2A

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 PDE4B 2/4885FPR2 2042/4885PDE4A 1/4885
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A PDE4B 2/4885FPR2 2113/4885PDE4A 1/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A PDE4B 2/4885FPR2 2152/4885PDE4A 1/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A PDE4B 2/4885FPR2 2152/4885PDE4A 1/4885
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A PDE4B 2/4885FPR2 2113/4885PDE4A 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.