SCHEMBL3980372

SCHEMBL3980372

COC(=O)c1cc(Cl)ccc1COc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ABL1 P00519 1/20 0.49
PTPN1 P18031 1/20 0.48
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 2/20 0.46
PTGER4 P35408 1/20 0.46
MAOB P27338 3/20 0.46
MAOA P21397 2/20 0.46
S1PR1 P21453 1/20 0.45
LTK P29376 1/20 0.45
TAOK1 Q7L7X3 1/20 0.45
S1PR5 Q9H228 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
HIF1A Q16665 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL3982074 0.93 FFAR1 (0.52) NR4A2NPC1RAB9AABL1PTPN1
SCHEMBL3987229 0.92 NR4A2 (0.48) NR4A2NPC1RAB9AABL1PTPN1
SCHEMBL3980045 0.88 MAOB (0.50) NR4A2NPC1RAB9AABL1PTPN1
SCHEMBL3978883 0.87 ABL1 (0.46) NR4A2NPC1RAB9AABL1PTPN1
SCHEMBL3981318 0.87 NR4A2 (0.52) NR4A2NPC1RAB9AABL1MAOB
SCHEMBL3980074 0.84 MRGPRX4 (0.57) NR4A2ABL1MAOBMAOAHIF1A
SCHEMBL3977068 0.84 INPPL1 (0.45)
SCHEMBL3980330 0.83 NR4A2 (0.64) NR4A2FFAR1FFAR4PTGER4S1PR1
SCHEMBL3986819 0.82 INPPL1 (0.43) ABL1PTGER4CYP3A4
SCHEMBL10174510 0.81 ABL1 (0.57) NR4A2ABL1SLC6A4SLC6A3ALDH1A1

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-20220048897-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION COCRYSTAL PHARMA INC (US) 2022-02-17 US disclosed
US-20220048897-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION COCRYSTAL PHARMA INC (US) 2022-02-17 US disclosed
EP-3887355-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION Cocrystal Pharma, Inc. (US) 2021-10-06 EP disclosed
WO-2020112716-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION COCRYSTAL PHARMA, INC. (US) 2020-06-04 WO disclosed
WO-2020112716-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION COCRYSTAL PHARMA, INC. (US) 2020-06-04 WO disclosed
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
CN-1950333-A Substituted methyl aryl or heteroaryl amide compounds PFIZER (US) 2007-04-18 CN 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 (4 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-20220048897-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION ACE, IRF3, MIF NR4A2 2947/4885NPC1 1531/4885RAB9A 788/4885
US-20090163558-A1 Substituted Methyl Aryl or Heteroaryl Amide Compounds PTGER1, PTGER2, PTGER3 NR4A2 1009/4885NPC1 1636/4885RAB9A 2873/4885
US-20050267170-A1 Substituted methyl aryl or heteroaryl amide compounds PTGER1, PTGER2, PTGER3 NR4A2 1009/4885NPC1 1636/4885RAB9A 2873/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 NR4A2 235/4885NPC1 3721/4885RAB9A 4246/4885

“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.