SCHEMBL3980243

SCHEMBL3980243

CNC(=O)c1cccc(OCc2ccc(Cl)cc2C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.61
NR4A1 P22736 1/20 0.61
NR4A3 Q92570 1/20 0.61
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 1/20 0.59
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMPD1 P17405 2/20 0.49
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
AKR1C2 P52895 2/20 0.47
AKR1C1 Q04828 2/20 0.47
AKR1C4 P17516 1/20 0.47

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
SCHEMBL3978344 0.90 NR4A2 (0.54) NR4A2NR4A1NR4A3KDM4EALDH1A1
SCHEMBL3977095 0.84 PTGER4 (0.59) NR4A2NR4A1NR4A3
SCHEMBL3981899 0.84 NR4A2 (0.63) NR4A2NR4A1NR4A3KDM4ENPC1
SCHEMBL11574914 0.81 MRGPRX4 (0.59) NR4A2NR4A1NR4A3ALDH1A1NPC1
SCHEMBL3981031 0.80 NR4A2 (0.59) NR4A2NR4A1NR4A3NPC1RAB9A
SCHEMBL3983185 0.80 PTGER4 (0.49) NR4A2NR4A1NR4A3KDM4EALDH1A1
SCHEMBL23040958 0.78 RXRA (0.67) NR4A2NR4A1NR4A3NPC1RAB9A
SCHEMBL3980330 0.77 NR4A2 (0.64) NR4A2NR4A1NR4A3ALDH1A1MRGPRX4
SCHEMBL5838953 0.76 NR4A2 (1.00) NR4A2NR4A1NR4A3NPC1RAB9A
SCHEMBL13702365 0.76 SMPD1 (0.76) NR4A2RAB9ASMPD1MAOBMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756042-B1 SUBSTITUTED METHYL ARYL OR HETEROARYL AMIDE COMPOUNDS RAQUALIA PHARMA INC (JP) 2014-02-12 EP disclosed
US-8084476-B2 Substituted methyl aryl or heteroaryl amide compounds RAQUALIA PHARMA INC. (JP) 2011-12-27 US disclosed
US-20090163558-A1 Substituted Methyl Aryl or Heteroaryl Amide Compounds RAQUALIA PHARMA INC. (JP) 2009-06-25 US disclosed
US-7534914-B2 Substituted methyl aryl or heteroaryl amide compounds REQUALIA PHARMA INC. (JP) 2009-05-19 US disclosed
WO-2005102389-A9 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2009-04-30 WO disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US disclosed
EP-1756042-A1 SUBSTITUTED METHYL ARYL OR HETEROARYL AMIDE COMPOUNDS Pfizer, Inc. (US) 2007-02-28 EP disclosed
EP-1740211-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-01-10 EP disclosed
US-20050267170-A1 Substituted methyl aryl or heteroaryl amide compounds PFIZER INC 2005-12-01 US disclosed
WO-2005105732-A1 SUBSTITUTED METHYL ARYL OR HETEROARYL AMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2005-11-10 WO disclosed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 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-20090163558-A1 Substituted Methyl Aryl or Heteroaryl Amide Compounds PTGER1, PTGER2, PTGER3 NR4A2 1009/4885NR4A1 334/4885NR4A3 707/4885
US-20050267170-A1 Substituted methyl aryl or heteroaryl amide compounds PTGER1, PTGER2, PTGER3 NR4A2 1009/4885NR4A1 334/4885NR4A3 707/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 NR4A2 235/4885NR4A1 357/4885NR4A3 293/4885

“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.