SCHEMBL3980353

SCHEMBL3980353

O=C(O)c1cc(Cl)ccc1COc1cc(F)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.53
FABP3 P05413 1/20 0.53
FABP4 P15090 1/20 0.53
FABP5 Q01469 1/20 0.53
PTGER1 P34995 12/20 0.52
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
CYP2C9 P11712 3/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL3981324 0.91 PTGER1 (0.56) MRGPRX4FABP3FABP4FABP5PTGER1
SCHEMBL3978104 0.89 MRGPRX4 (0.60) MRGPRX4FABP3FABP4FABP5PTGER1
SCHEMBL3978355 0.86 FFAR4 (0.47) MRGPRX4FABP3FABP4FABP5PTGER1
SCHEMBL3983117 0.84 MRGPRX4 (0.59) MRGPRX4FABP3FABP4FABP5PTGER1
SCHEMBL3977944 0.83 NR4A2 (0.58) MRGPRX4FABP3FABP4FABP5
SCHEMBL3980740 0.82 NR4A2 (0.52) MRGPRX4FABP3FABP4FABP5PTGER1
SCHEMBL3981031 0.81 NR4A2 (0.59) MRGPRX4FABP3FABP4FABP5PTGER1
SCHEMBL3983385 0.81 TP53 (0.74) MRGPRX4FABP3FABP4FABP5PTGER1
SCHEMBL5188379 0.81 MRGPRX4 (0.46) MRGPRX4FABP3FABP4FABP5PTGER1
SCHEMBL3981141 0.80 FABP3 (0.57) MRGPRX4FABP3FABP4FABP5PTGER1

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 MRGPRX4 66/4885FABP3 2932/4885FABP4 3313/4885
US-20050267170-A1 Substituted methyl aryl or heteroaryl amide compounds PTGER1, PTGER2, PTGER3 MRGPRX4 66/4885FABP3 2932/4885FABP4 3313/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 MRGPRX4 89/4885FABP3 1275/4885FABP4 764/4885

“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.