SCHEMBL4188431

SCHEMBL4188431

COc1ccc(S(=O)(=O)NC(=O)c2ccc(N(Cc3cccnc3)c3ccc(OC)c(OC4CCCO4)c3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.47
PDE4B Q07343 2/20 0.45
PDE4A P27815 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
MMP9 P14780 9/20 0.43
MMP13 P45452 9/20 0.43
MMP1 P03956 8/20 0.43
ADAM17 P78536 8/20 0.43
HPGD P15428 1/20 0.41
NAMPT P43490 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL4202252 0.95 PDE4B (0.43) CXCR3PDE4BPDE4APDE4CPDE4D
SCHEMBL4199690 0.94 GAA (0.44) CXCR3PDE4BPDE4APDE4CPDE4D
SCHEMBL4200614 0.94 GAA (0.44) CXCR3PDE4BPDE4APDE4CPDE4D
SCHEMBL4199924 0.92 PDE4B (0.43) CXCR3PDE4BPDE4APDE4CPDE4D
SCHEMBL4196417 0.91 PDE4B (0.46) CXCR3PDE4BPDE4APDE4CPDE4D
SCHEMBL4196006 0.91 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DNAMPT
SCHEMBL4196473 0.90 NAMPT (0.42) CXCR3PDE4BPDE4APDE4CPDE4D
SCHEMBL4196207 0.90 PDE4B (0.41) CXCR3PDE4BPDE4APDE4CPDE4D
SCHEMBL4192730 0.90 PDE4B (0.43) CXCR3PDE4BPDE4APDE4CPDE4D
SCHEMBL4205135 0.89 LTC4S (0.41) CXCR3PDE4BPDE4APDE4CPDE4D

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-20090048255-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS SCHUMACHER RICHARD A 2009-02-19 US claimed
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORP. (US) 2005-06-02 US claimed
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-20090048255-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS SCHUMACHER RICHARD A 2009-02-19 US disclosed
US-7405230-B2 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-29 US disclosed
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORP. (US) 2005-06-02 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 (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-20090048255-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS PDE4A, PDE4B, PDE3A CXCR3 3113/4885PDE4B 2/4885PDE4A 1/4885
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs PDE4A, PDE4B, PDE3A CXCR3 3113/4885PDE4B 2/4885PDE4A 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.