SCHEMBL70286

SCHEMBL70286

Cc1ncc(C(=O)S)cc1OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.42
PIK3C3 Q8NEB9 1/20 0.37
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
RXRA P19793 1/20 0.34
LMNA P02545 1/20 0.33
PDE4B Q07343 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
TSHR P16473 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.33

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
SCHEMBL70287 0.79 PIK3C3 (0.40) XDHPIK3C3KCNQ3KCNQ2RXRA
SCHEMBL70808 0.76 PIK3C3 (0.39) XDHPIK3C3KCNQ3KCNQ2LMNA
SCHEMBL28897792 0.74 PIK3C3 (0.41) XDHPIK3C3KCNQ3KCNQ2RXRA
SCHEMBL69874 0.73 PIK3C3 (0.41) PIK3C3PDE4B
SCHEMBL2067656 0.70 PIK3C3 (0.41) XDHPIK3C3LMNAALDH1A1MAPT
SCHEMBL7870251 0.70 PIK3C3 (0.41) XDHPIK3C3
SCHEMBL8883301 0.69 XDH (0.49) XDHKCNQ3KCNQ2RXRAALDH1A1
SCHEMBL976853 0.68 XDH (0.48) XDHKCNQ3KCNQ2RXRA
SCHEMBL70774 0.67 PDE4D (0.40) PIK3C3KCNQ3KCNQ2PDE4B
SCHEMBL15483062 0.67 EIF4E (0.41) XDHPIK3C3LMNA

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 XDH 751/4885PIK3C3 133/4885KCNQ3 2796/4885
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A XDH 527/4885PIK3C3 131/4885KCNQ3 2634/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A XDH 564/4885PIK3C3 115/4885KCNQ3 2812/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A XDH 564/4885PIK3C3 115/4885KCNQ3 2812/4885
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A XDH 527/4885PIK3C3 131/4885KCNQ3 2634/4885

“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.