SCHEMBL1300889

SCHEMBL1300889

COc1ccc(-c2nc(-c3cccc(C(=O)O)n3)cs2)c2c1oc1ccccc12

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.57
PDE4A P27815 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
ECE1 P42892 7/20 0.48
PTPRF P10586 5/20 0.40
PTPN2 P17706 5/20 0.40
PTPN1 P18031 5/20 0.40
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAOA P21397 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL1301794 0.90 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DECE1
SCHEMBL1300847 0.88 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL1302486 0.88 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DECE1
SCHEMBL1302356 0.87 PDE4B (0.69) PDE4BECE1KDM4ENPC1ALDH1A1
SCHEMBL12108167 0.83 PDE4B (0.50) PDE4BKDM4ENPC1ALDH1A1LMNA
SCHEMBL1301664 0.82 PDE4A (0.54) PDE4BPDE4APDE4CPDE4DECE1
SCHEMBL12108178 0.82 PDE4B (0.50) PDE4BPTPRFPTPN2PTPN1KDM4E
SCHEMBL1301889 0.81 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL1303008 0.80 PDE4B (0.68) PDE4BKDM4ENPC1ALDH1A1LMNA
SCHEMBL12109917 0.79 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580795-B2 Heterocyclic compounds as phosphodiesterase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-11-12 US claimed
US-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-11-03 US claimed
EP-2379538-A2 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS Orchid Research Laboratories Limited (IN) 2011-10-26 EP claimed
WO-2010084402-A2 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-29 WO claimed
US-8580795-B2 Heterocyclic compounds as phosphodiesterase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-11-12 US disclosed
US-8580795-B2 Heterocyclic compounds as phosphodiesterase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-11-12 US disclosed
US-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-11-03 US disclosed
US-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-11-03 US disclosed
EP-2379538-A2 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS Orchid Research Laboratories Limited (IN) 2011-10-26 EP disclosed
WO-2010084402-A2 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-29 WO disclosed
WO-2010084402-A2 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-29 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 (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-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4A 1/4885PDE4C 3/4885

“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.