SCHEMBL4458819

SCHEMBL4458819

CCc1nc(C(F)(F)F)nc2c1ncn2-c1cccc(C(=O)NS(C)(=O)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.42
SCN2B O60939 7/20 0.42
SCN1B Q07699 7/20 0.42
SCN1A P35498 6/20 0.42
SCN5A Q14524 6/20 0.42
YTHDC1 Q96MU7 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
SYK P43405 1/20 0.38
PPARG P37231 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
XDH P47989 1/20 0.36
PTGER1 P34995 1/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL3141104 0.86 YTHDC1 (0.55) SCN9ASCN2BSCN1BSCN1ASCN5A
SCHEMBL4462825 0.86 YTHDC1 (0.53) YTHDC1XDHPTGER1
SCHEMBL27631264 0.84 YTHDC1 (0.39) YTHDC1NR1H2NR1H3XDH
SCHEMBL3141415 0.82 YTHDC1 (0.42) SCN9ASCN2BSCN1BSCN1ASCN5A
SCHEMBL6253561 0.82 SCN9A (0.40) SCN9ASCN2BSCN1BSCN1ASCN5A
SCHEMBL4471493 0.82 NR1H3 (0.50) NR1H2NR1H3XDH
SCHEMBL4477491 0.80 NR1H2 (0.42) NR1H2NR1H3XDH
SCHEMBL4474039 0.79 XDH (0.48) YTHDC1XDH
SCHEMBL4467324 0.78 PI4KA (0.48) XDH
SCHEMBL4465473 0.78 XDH (0.48) XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325982-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN T 2009-12-31 US claimed
US-20080269260-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN T 2008-10-30 US claimed
CN-100415747-C Phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2008-09-03 CN claimed
US-7335654-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-02-26 US claimed
CN-1688578-A Phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2005-10-26 CN claimed
EP-1551837-A1 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2005-07-13 EP claimed
US-20040102460-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2004-05-27 US claimed
WO-2004014911-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-02-19 WO claimed
US-20090325982-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN T 2009-12-31 US disclosed
WO-2009067607-A2 COMBINATIONS OF PDE4 INHIBITORS AND ANTIPSYCHOTICS FOR THE TREATMENT OF PSYCHOTIC DISORDERS MEMORY PHARMACEUTICALS CORPORATION (US) 2009-05-28 WO disclosed
US-20080269260-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN T 2008-10-30 US disclosed
CN-100415747-C Phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2008-09-03 CN disclosed
US-7335654-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-02-26 US disclosed
CN-1688578-A Phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2005-10-26 CN disclosed
EP-1551837-A1 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2005-07-13 EP disclosed
US-20040102460-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2004-05-27 US disclosed
WO-2004014911-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-02-19 WO 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 (3 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-20080269260-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A SCN9A 1557/4885SCN2B 988/4885SCN1B 747/4885
US-20040102460-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B SCN9A 1457/4885SCN2B 957/4885SCN1B 443/4885
US-20090325982-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A SCN9A 1557/4885SCN2B 988/4885SCN1B 747/4885

“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.