SCHEMBL6317100

SCHEMBL6317100

CCOC(=O)c1sc(Nc2nc(SCc3ccc(OC)cc3)c3ncn(CC)c3n2)nc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.55
PDE3A Q14432 4/20 0.55
PDE2A O00408 2/20 0.52
ALDH1A1 P00352 5/20 0.49
MAPT P10636 5/20 0.49
KDM4E B2RXH2 3/20 0.49
LMNA P02545 2/20 0.49
RXFP1 Q9HBX9 2/20 0.48
NPC1 O15118 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
PDE5A O76074 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
USP2 O75604 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6316815 0.76 PDE3B (0.61) PDE3BPDE3APDE2AALDH1A1MAPT
SCHEMBL6318608 0.76 PDE3B (0.71) PDE3BPDE3APDE2AALDH1A1MAPT
SCHEMBL6322954 0.75 PDE3B (0.55) PDE3BPDE3APDE2AALDH1A1MAPT
SCHEMBL6317888 0.74 PDE3B (0.78) PDE3BPDE3APDE2AALDH1A1MAPT
SCHEMBL6319710 0.72 PDE3B (0.51) PDE3BPDE3APDE2AALDH1A1MAPT
SCHEMBL6318174 0.71 PDE3B (1.00) PDE3BPDE3APDE2AALDH1A1MAPT
SCHEMBL12158131 0.71 MAPT (0.84) ALDH1A1MAPTKDM4ELMNARXFP1
SCHEMBL6319661 0.70 PDE3B (0.79) PDE3BPDE3APDE2AALDH1A1MAPT
SCHEMBL6317366 0.70 PDE3B (0.86) PDE3BPDE3APDE2AALDH1A1MAPT
SCHEMBL6325399 0.69 PDE3B (0.67) PDE3BPDE3APDE2APDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels QUATRX PHARMACEUTICALS CO. 2005-06-30 US claimed
US-6838559-B2 Purine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB CO. (US) 2005-01-04 US claimed
US-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels QUATRX PHARMACEUTICALS CO. 2005-06-30 US disclosed
US-6838559-B2 Purine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB CO. (US) 2005-01-04 US 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 (1 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-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels APOB, LDLR, LPL PDE3B 1124/4885PDE3A 1209/4885PDE2A 803/4885

“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.