SCHEMBL5505912

SCHEMBL5505912

FC(F)(F)c1cc(COc2ccc(CCl)cc2)ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.60
PTGDR2 Q9Y5Y4 2/20 0.54
SLC6A4 P31645 1/20 0.47
MAOB P27338 4/20 0.46
S1PR1 P21453 3/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
GPR84 Q9NQS5 2/20 0.44
KDM4C Q9H3R0 1/20 0.42
PYCR1 P32322 1/20 0.42
AR P10275 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL5517700 0.86 IDO1 (0.55) IDO1PTGDR2SLC6A4MAOBS1PR1
SCHEMBL5520176 0.85 SLC6A4 (0.47) IDO1PTGDR2SLC6A4MAOBAR
SCHEMBL6239485 0.82 PTGDR2 (0.66) IDO1PTGDR2S1PR1MRGPRX4KDM4C
SCHEMBL932921 0.82 IDO1 (0.62) IDO1SLC6A4GPR84PYCR1
SCHEMBL875588 0.81 IDO1 (0.51) IDO1GPR84PYCR1ARPPARG
SCHEMBL6239486 0.81 PTGDR2 (0.56) IDO1PTGDR2MAOBS1PR1MRGPRX4
SCHEMBL5512534 0.80 IDO1 (0.53) IDO1PTGDR2MAOBS1PR1MRGPRX4
SCHEMBL21944901 0.78 IDO1 (0.56) IDO1PTGDR2SLC6A4MAOBS1PR1
SCHEMBL21945019 0.77 IDO1 (0.55) IDO1PTGDR2SLC6A4MAOBS1PR1
SCHEMBL11475248 0.77 IDO1 (0.51) IDO1PTGDR2SLC6A4MAOBS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39916-E1 Compounds that modulate PPAR activity and methods for their preparation WARNER LAMBERT COMPANY (US) 2007-11-06 US disclosed
US-6964983-B2 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY, LLC (US) 2005-11-15 US disclosed
US-6939875-B2 Carbocyclic oxy sulfides such as [4-(Biphenyl-4-ylmethylsulfanyl)-5-methoxy-2-methyl-phenoxy]-acetic acid, used to control peroxisome proliferator activated receptors (PPAR), for prophylaxis of metabolic disorders WARNER-LAMBERT COMPANY (US) 2005-09-06 US disclosed
CN-1649820-A Compounds that modulate PPAR activity and methods for preparing the same WARNER LAMBERT CO (US) 2005-08-03 CN disclosed
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION AUERBACH BRUCE J (US) 2005-07-14 US disclosed
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation AUERBACH BRUCE J (US) 2005-05-26 US disclosed
EP-1494989-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2005-01-12 EP disclosed
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY 2003-12-04 US disclosed
WO-2003084916-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2003-10-16 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-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG IDO1 3753/4885PTGDR2 853/4885SLC6A4 2116/4885
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG IDO1 3753/4885PTGDR2 853/4885SLC6A4 2116/4885
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION GPR119, PPARA, PPARG IDO1 3753/4885PTGDR2 853/4885SLC6A4 2116/4885

“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.