SCHEMBL1301749

SCHEMBL1301749

CCc1oc(-c2ccc(OC(F)F)c3oc4ccc(NS(C)(=O)=O)cc4c23)nc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.55
PDE4D Q08499 2/20 0.53
PGR P06401 2/20 0.37
NR3C1 P04150 1/20 0.37
NR3C2 P08235 1/20 0.37
AR P10275 1/20 0.37
PDE4A P27815 2/20 0.35
PDE4C Q08493 1/20 0.35
MMP12 P39900 3/20 0.34
MMP13 P45452 3/20 0.34
ESR1 P03372 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 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
SCHEMBL1302031 0.83 PDE4B (0.58) PDE4BPDE4DPGRNR3C1NR3C2
SCHEMBL1301854 0.82 PDE4B (0.37) PDE4BPDE4DALDH1A1
SCHEMBL1302743 0.82 PDE4B (0.75) PDE4BPDE4DPGRNR3C1NR3C2
SCHEMBL3306175 0.81 PDE4D (0.69) PDE4BPDE4DPGRNR3C1NR3C2
SCHEMBL1301367 0.80 PDE4B (0.56) PDE4BPDE4DMMP13POLBHIF1A
SCHEMBL1301006 0.75 PDE4B (0.72) PDE4BPDE4DPGRNR3C1NR3C2
SCHEMBL1302566 0.74 PDE4B (0.76) PDE4BPDE4DPGRNR3C1NR3C2
SCHEMBL1302059 0.74 PDE4B (0.69) PDE4BPDE4DPGRNR3C1NR3C2
SCHEMBL1301746 0.74 PDE4D (0.52) PDE4BPDE4DPGRNR3C1NR3C2
SCHEMBL1301937 0.73 PDE4B (0.78) PDE4BPDE4DPGRNR3C1NR3C2

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 PDE4B 2/4885PDE4D 4/4885PGR 1643/4885

“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.