SCHEMBL4139575

SCHEMBL4139575

O=C(O)c1ccc(N(Cc2cncs2)c2ccc(OC(F)F)c(OCC3CC3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.40
PDE4D Q08499 14/20 0.40
RXRA P19793 1/20 0.40
PDE4A P27815 10/20 0.39
PDE4C Q08493 10/20 0.39
ABCB11 O95342 1/20 0.39

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
SCHEMBL16160305 0.90 PDE4D (0.34) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL4139481 0.89 RXRA (0.41) PDE4BPDE4DRXRAPDE4APDE4C
SCHEMBL4136167 0.88 HRH4 (0.40) RXRA
Trifluoroacetic Acid SCHEMBL4139204 0.86 RXRA (0.38) PDE4BPDE4DRXRAPDE4APDE4C
SCHEMBL4131770 0.86 HRH4 (0.34) RXRAPDE4A
SCHEMBL3205291 0.86 PDE4B (0.49) PDE4BPDE4DRXRAPDE4APDE4C
SCHEMBL4139206 0.79 FFAR4 (0.34) PDE4BPDE4DRXRAPDE4APDE4C
SCHEMBL16160338 0.78 LTC4S (0.36) PDE4BPDE4A
SCHEMBL4132244 0.78 HRH4 (0.38)
SCHEMBL3122844 0.78 PDE4A (0.40) PDE4BPDE4DRXRAPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS TALAMAS FRANCISCO XAVIER 2009-05-07 US claimed
EP-1888528-A2 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2008-02-20 EP claimed
US-20070049611-A1 Phosphodiesterase 4 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US claimed
WO-2006135828-A2 TRISUBSTITUTED AMINES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-12-21 WO claimed
US-9150527-B2 Metalloenzyme inhibitor compounds INNOCRIN PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-9150527-B2 Metalloenzyme inhibitor compounds INNOCRIN PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-20140303157-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2014-10-09 US disclosed
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS TALAMAS FRANCISCO XAVIER 2009-05-07 US disclosed
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS TALAMAS FRANCISCO XAVIER 2009-05-07 US disclosed
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS TALAMAS FRANCISCO XAVIER 2009-05-07 US disclosed
EP-1888528-A2 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2008-02-20 EP disclosed
US-20070049611-A1 Phosphodiesterase 4 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US disclosed
US-20070049611-A1 Phosphodiesterase 4 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US disclosed
US-20070049611-A1 Phosphodiesterase 4 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US disclosed
WO-2006135828-A2 TRISUBSTITUTED AMINES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-12-21 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-20070049611-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3B, PDE4B PDE4B 3/4885PDE4D 6/4885RXRA 3125/4885
US-20140303157-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO PDE4B 2947/4885PDE4D 3170/4885RXRA 3008/4885
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE4B PDE4B 3/4885PDE4D 6/4885RXRA 3125/4885

“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.