SCHEMBL1301006

SCHEMBL1301006

CS(=O)(=O)Nc1ccc2oc3c(OC(F)F)ccc(-c4nc(C(=O)NC5CC5)co4)c3c2c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.72
PDE4D Q08499 2/20 0.54
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
TLR8 Q9NR97 3/20 0.34
TLR7 Q9NYK1 3/20 0.34
TLR9 Q9NR96 2/20 0.34
NTRK1 P04629 1/20 0.34
LCK P06239 1/20 0.34
LIPG Q9Y5X9 1/20 0.33
TYRO3 Q06418 1/20 0.32
S1PR1 P21453 2/20 0.32
HPGDS O60760 1/20 0.32
FAAH O00519 1/20 0.31

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
SCHEMBL12108315 0.97 PDE4B (0.78) PDE4BPDE4DPDE4APDE4CNR3C1
SCHEMBL1301937 0.97 PDE4B (0.78) PDE4BPDE4DPDE4APDE4CNR3C1
SCHEMBL1302059 0.97 PDE4B (0.69) PDE4BPDE4DPDE4APDE4CNR3C1
SCHEMBL12108322 0.91 PDE4B (0.59) PDE4BPDE4DNR3C1NTRK1LCK
SCHEMBL1302031 0.88 PDE4B (0.58) PDE4BPDE4DPDE4APDE4CNR3C1
SCHEMBL12108324 0.88 PDE4B (0.56) PDE4BPDE4DNR3C1S1PR1
SCHEMBL1301367 0.85 PDE4B (0.56) PDE4BPDE4D
SCHEMBL15381131 0.84 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CNR3C1
SCHEMBL1301273 0.80 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CNR3C1
SCHEMBL1301749 0.75 PDE4B (0.55) PDE4BPDE4DPDE4APDE4CNR3C1

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 7 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
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
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

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 2/4885PDE4D 4/4885PDE4A 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.