SCHEMBL6657058

SCHEMBL6657058

CCC1SC(=O)N(Cc2ccc(NC(=O)c3ccc[nH]3)cc2)N=C1c1ccc(OC)c(O)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
PDE4D Q08499 10/20 0.39
PDE4A P27815 9/20 0.39
PDE4B Q07343 9/20 0.39
PDE4C Q08493 9/20 0.39
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
PARP1 P09874 2/20 0.36
SCN9A Q15858 1/20 0.35
LMNA P02545 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
PIM1 P11309 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6654188 0.94 PDE4D (0.44) GAAPDE4DPDE4APDE4BPDE4C
SCHEMBL6844111 0.91 PDE4D (0.41) GAAPDE4DPDE4APDE4BPDE4C
SCHEMBL6842659 0.91 PDE4D (0.41) GAAPDE4DPDE4APDE4BPDE4C
SCHEMBL6658351 0.90 PDE4D (0.40) GAAPDE4DPDE4APDE4BPDE4C
SCHEMBL6656236 0.90 PDE4D (0.40) GAAPDE4DPDE4APDE4BPDE4C
SCHEMBL6654949 0.89 PDE4D (0.39) GAAPDE4DPDE4APDE4BPDE4C
SCHEMBL6842605 0.89 PDE4D (0.39) GAAPDE4DPDE4APDE4BPDE4C
SCHEMBL6659590 0.89 PDE4D (0.39) GAAPDE4DPDE4APDE4BPDE4C
SCHEMBL6655053 0.89 PDE4D (0.39) GAAPDE4DPDE4APDE4BPDE4C
SCHEMBL6660948 0.89 PDE4D (0.49) PDE4DPDE4APDE4BPDE4C

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 6 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-1435958-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GmbH (DE) 2004-07-14 EP disclosed
WO-2003032993-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GMBH (DE) 2003-04-24 WO disclosed
EP-0763534-B1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2003-02-26 EP disclosed
US-5859008-A Arylalkyl diazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-01-12 US disclosed
EP-0763534-A1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GmbH (DE) 1997-03-19 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 (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-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B GAA 1723/4885PDE4D 12/4885PDE4A 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.