SCHEMBL6842646

SCHEMBL6842646

CCC1CC(=O)N(Cc2ccc(NS(C)(=O)=O)cc2)N=C1c1ccc(OC)c(OCF)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.43
PDE4D Q08499 16/20 0.42
PDE4A P27815 10/20 0.42
PDE4C Q08493 10/20 0.42
ABCB1 P08183 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40

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
SCHEMBL6657255 0.97 PDE4B (0.44) PDE4BPDE4DPDE4APDE4CABCB1
SCHEMBL143010 0.93 PDE4D (0.45) PDE4BPDE4DPDE4APDE4CABCB1
SCHEMBL146745 0.93 PDE4B (0.49) PDE4BPDE4DPDE4APDE4CABCB1
SCHEMBL6656525 0.89 PDE4B (0.43) PDE4BPDE4DPDE4APDE4CABCB1
SCHEMBL6659966 0.89 PDE4B (0.43) PDE4BPDE4DPDE4APDE4CABCB1
SCHEMBL6656410 0.88 PDE4B (0.43) PDE4BPDE4DPDE4APDE4CABCB1
SCHEMBL6658186 0.88 PDE4B (0.43) PDE4BPDE4DPDE4APDE4CABCB1
SCHEMBL6842271 0.87 PDE4D (0.46) PDE4BPDE4DPDE4APDE4CABCB1
SCHEMBL145536 0.87 PDE4A (0.54) PDE4BPDE4DPDE4APDE4C
SCHEMBL6841968 0.87 PDE4D (0.45) PDE4BPDE4DPDE4APDE4CPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235845-A1 Use of phosphodiesterase iv inhibitors MERCK PATENT GESSELSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-11-25 US disclosed
EP-0738715-B1 Arylalkyl-pyridazinones MERCK PATENT GMBH (DE) 2003-01-29 EP disclosed
US-20020111356-A1 Arylalkylpyridazinones MERCK KGAA (DE) 2002-08-15 US disclosed
US-6399611-B1 2-(4-ETHOXYCARBONYLAMINOBENZYL)-6-(3,4 -DIMETHOXYPHENYL)-2,3,4, 5-TETRAHYDROPYRIDAZIN-3-ONE OR ALTERNATELY BENZYL SUBSTITUTED COMPOUNDS; PHOSPHODIESTERASE IV AND TUMOUR NECROSIS FACTOR INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-06-04 US disclosed
EP-0738715-A2 Arylalkyl-pyridazinones MERCK PATENT GmbH (DE) 1996-10-23 EP 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 (2 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-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B PDE4B 4/4885PDE4D 12/4885PDE4A 1/4885
US-20020111356-A1 Arylalkylpyridazinones PDE4A, PDE5A, PDE2A PDE4B 8/4885PDE4D 10/4885PDE4A 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.