SCHEMBL5511243

SCHEMBL5511243

FC(F)(F)c1ccc(Cc2ccc(CCl)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.50
TAAR1 Q96RJ0 1/20 0.48
IDO1 P14902 4/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LTA4H P09960 1/20 0.45
MAOB P27338 2/20 0.42
KIF11 P52732 1/20 0.40
KMT2A Q03164 1/20 0.40
MIF P14174 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
IDH1 O75874 1/20 0.39
DAO P14920 2/20 0.39

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
SCHEMBL676931 0.93 TAAR1 (0.54) SRD5A2TAAR1IDO1KDM4EALDH1A1
SCHEMBL27918003 0.91 TAAR1 (0.52) SRD5A2TAAR1IDO1KDM4EALDH1A1
SCHEMBL2096666 0.88 SRD5A2 (0.59) SRD5A2TAAR1IDO1KDM4EALDH1A1
SCHEMBL14364166 0.86 TAAR1 (0.59) TAAR1IDO1KDM4EALDH1A1MAOB
SCHEMBL2290365 0.86 MAOB (0.57) TAAR1IDO1KDM4EALDH1A1MAOB
SCHEMBL11926053 0.82 P2RX3 (0.50) SRD5A2TAAR1IDO1KDM4EALDH1A1
SCHEMBL1451649 0.81 MAPK14 (0.48) TAAR1IDO1KDM4EALDH1A1LTA4H
SCHEMBL11323181 0.80 CYP3A4 (0.47) KDM4EALDH1A1LTA4HKMT2AIDH1
SCHEMBL5885169 0.80 CYP3A4 (0.47) KDM4EALDH1A1LTA4HKMT2AIDH1
SCHEMBL5255445 0.79 ALDH1A1 (0.59) SRD5A2TAAR1IDO1ALDH1A1LTA4H

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 13 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-RE39916-E1 Compounds that modulate PPAR activity and methods for their preparation WARNER LAMBERT COMPANY (US) 2007-11-06 US disclosed
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
US-4874763-A ANTIARRHYTHMIA AGENTS ROEHM GMBH CHEMISCHE FABRIK (DE) 1989-10-17 US disclosed
EP-0318795-A2 Pharmaceutically active pteridin derivatives Röhm GmbH (DE) 1989-06-07 EP 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 SRD5A2 3113/4885TAAR1 1426/4885IDO1 3753/4885
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG SRD5A2 3113/4885TAAR1 1426/4885IDO1 3753/4885
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION GPR119, PPARA, PPARG SRD5A2 3113/4885TAAR1 1426/4885IDO1 3753/4885

“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.