SCHEMBL13632173

SCHEMBL13632173

Cc1cncc(I)c1NC(=O)c1ccc(OC2CCCC2)c2oc3ccc(NS(C)(=O)=O)cc3c12

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 8/20 0.59
PDE4B Q07343 9/20 0.41
PDE4A P27815 8/20 0.39
PDE4C Q08493 7/20 0.39
BRD4 O60885 4/20 0.35
EP300 Q09472 1/20 0.35
S1PR1 P21453 1/20 0.34
MRGPRX1 Q96LB2 1/20 0.34
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
FABP4 P15090 2/20 0.32
FABP5 Q01469 2/20 0.32

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
SCHEMBL8268935 0.88 PDE4D (0.76) PDE4DPDE4BPDE4APDE4C
SCHEMBL13631996 0.84 PDE4D (0.57) PDE4DPDE4BPDE4APDE4C
SCHEMBL13631919 0.77 PDE4D (0.67) PDE4DPDE4BPDE4APDE4C
SCHEMBL4029909 0.76 PDE4D (0.81) PDE4DPDE4BPDE4APDE4C
SCHEMBL13632195 0.75 PDE4D (0.68) PDE4DPDE4BPDE4APDE4C
Oglemilast SCHEMBL220245 0.74 PDE4D (1.00) PDE4DPDE4BPDE4APDE4C
Oglemilast SCHEMBL29413215 0.74 PDE4D (1.00) PDE4DPDE4BPDE4APDE4C
Oglemilast SCHEMBL29369504 0.74 PDE4D (1.00) PDE4DPDE4BPDE4APDE4C
Oglemilast SCHEMBL4030005 0.74 PDE4D (0.98) PDE4DPDE4BPDE4APDE4C
Oglemilast SCHEMBL4030019 0.74 PDE4D (0.98) PDE4DPDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281146-A1 PROCESS FOR THE PREPARATION OF N-(3,5-DICHLOROPYRID-4-YL)-4-DIFLUOROMETHOXY-8-METHANESULFONAMIDO-DIBENZO[B,D]FURAN-1-CARBOXAMIDE GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-11-12 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-20090281146-A1 PROCESS FOR THE PREPARATION OF N-(3,5-DICHLOROPYRID-4-YL)-4-DIFLUOROMETHOXY-8-METHANESULFONAMIDO-DIBENZO[B,D]FURAN-1-CARBOXAMIDE DHODH, QDPR, DPYD PDE4D 278/4885PDE4B 587/4885PDE4A 1099/4885

“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.