SCHEMBL4139481

SCHEMBL4139481

COc1ccc(N(Cc2cncs2)c2ccc(C(=O)O)cc2)nc1OCC1CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.41
LTC4S Q16873 5/20 0.38
FFAR4 Q5NUL3 2/20 0.38
LPAR1 Q92633 5/20 0.35
LPAR5 Q9H1C0 5/20 0.35
MAP4K4 O95819 1/20 0.33
PDE4D Q08499 3/20 0.33
HRH4 Q9H3N8 1/20 0.33
PDE4B Q07343 4/20 0.33
PDE4A P27815 2/20 0.32
PDE4C Q08493 2/20 0.32

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
Trifluoroacetic Acid SCHEMBL4139204 0.95 RXRA (0.38) RXRALTC4SFFAR4LPAR1LPAR5
SCHEMBL16160338 0.89 LTC4S (0.36) LTC4SFFAR4HRH4PDE4BPDE4A
SCHEMBL4139575 0.89 PDE4B (0.40) RXRAPDE4DPDE4BPDE4APDE4C
SCHEMBL4140868 0.88 HRH4 (0.41) RXRAHRH4
Hydrochloric Acid SCHEMBL4141190 0.88 HRH4 (0.40) RXRAHRH4
SCHEMBL4139206 0.87 FFAR4 (0.34) RXRALTC4SFFAR4PDE4DHRH4
SCHEMBL3215050 0.85 RXRA (0.47) RXRALTC4SLPAR1LPAR5MAP4K4
SCHEMBL4960600 0.84 FFAR4 (0.36) RXRALTC4SFFAR4PDE4DHRH4
SCHEMBL4131770 0.80 HRH4 (0.34) RXRAHRH4PDE4A
SCHEMBL3207140 0.79 RXRA (0.43) RXRALTC4SLPAR1LPAR5PDE4D

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 RXRA 3125/4885LTC4S 1191/4885FFAR4 1248/4885
US-20140303157-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO RXRA 3008/4885LTC4S 1080/4885FFAR4 4769/4885
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE4B RXRA 3125/4885LTC4S 1191/4885FFAR4 1248/4885

“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.