SCHEMBL1301746

SCHEMBL1301746

CCC1(c2ccc(OC(F)F)c3oc4ccc(NS(C)(=O)=O)cc4c23)NC(C(=O)O)=CO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.52
PDE4B Q07343 4/20 0.45
MMP12 P39900 3/20 0.33
MMP13 P45452 3/20 0.33
PDE4A P27815 2/20 0.33
PGR P06401 2/20 0.33
PDE4C Q08493 1/20 0.33
NR3C1 P04150 1/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31
ESR1 P03372 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 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
SCHEMBL3306175 0.79 PDE4D (0.69) PDE4DPDE4BMMP12MMP13PDE4A
SCHEMBL1301749 0.74 PDE4B (0.55) PDE4DPDE4BMMP12MMP13PDE4A
SCHEMBL1302031 0.71 PDE4B (0.58) PDE4DPDE4BMMP12MMP13PDE4A
SCHEMBL1302743 0.70 PDE4B (0.75) PDE4DPDE4BMMP12MMP13PDE4A
Oglemilast SCHEMBL29413215 0.69 PDE4D (1.00) PDE4DPDE4BPDE4APDE4CABCB11
Oglemilast SCHEMBL220245 0.69 PDE4D (1.00) PDE4DPDE4BPDE4APDE4CABCB11
Oglemilast SCHEMBL29369504 0.69 PDE4D (1.00) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL13777247 0.68 PDE4D (0.81) PDE4DPDE4BPDE4APDE4C
Oglemilast SCHEMBL4030005 0.68 PDE4D (0.98) PDE4DPDE4BPDE4APDE4CABCB11
Oglemilast SCHEMBL4030019 0.68 PDE4D (0.98) PDE4DPDE4BPDE4APDE4CABCB11

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 2 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 disclosed
US-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-11-03 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-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE4C PDE4D 4/4885PDE4B 2/4885MMP12 668/4885

“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.