SCHEMBL2272131

SCHEMBL2272131

Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1CCl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.50
RXRB P28702 3/20 0.50
RXRG P48443 1/20 0.50
KIF11 P52732 10/20 0.47
AGXT P21549 1/20 0.40
MAOB P27338 1/20 0.39
DAO P14920 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL5111503 0.87 DAO (0.46) RXRARXRBRXRGKIF11DAO
SCHEMBL30617195 0.87 DAO (0.46) RXRARXRBRXRGKIF11DAO
SCHEMBL12603784 0.84 RXRA (0.55) RXRARXRBRXRGKIF11AGXT
SCHEMBL3230214 0.83 RXRA (0.50) RXRARXRBRXRGKIF11AGXT
SCHEMBL1779625 0.83 RXRA (0.54) RXRARXRBRXRGKIF11AGXT
SCHEMBL2652928 0.80 RXRA (0.51) RXRARXRBRXRGKIF11AGXT
SCHEMBL13756280 0.80 RXRA (0.48) RXRARXRBRXRGKIF11AGXT
SCHEMBL14996657 0.80 RXRA (0.48) RXRARXRBRXRGKIF11AGXT
SCHEMBL2651440 0.79 RXRA (0.50) RXRARXRBRXRGKIF11AGXT
SCHEMBL21753292 0.79 QDPR (0.41) KIF11LMNAMAPT

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
EP-1758859-B1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2013-07-17 EP disclosed
US-7989457-B2 Used to treat diabetic and other glucagon related metabolic disorders such as obesity, hyperglycemia, atherosclerosis, ischemic heart disease, stroke, neuropathy, and wound healing; (R,S)-Methanesulfonic acid 2-(3-methyl-4'-trifluoromethyl-biphenyl-4-yl)-propyl ester ELI LILLY AND COMPANY (US) 2011-08-02 US disclosed
US-20080125468-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2008-05-29 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-RE39916-E1 Compounds that modulate PPAR activity and methods for their preparation WARNER LAMBERT COMPANY (US) 2007-11-06 US disclosed
EP-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 WO 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
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
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY 2003-12-04 US 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-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG RXRA 68/4885RXRB 71/4885RXRG 39/4885
US-20080125468-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR RXRA 571/4885RXRB 565/4885RXRG 475/4885
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG RXRA 68/4885RXRB 71/4885RXRG 39/4885
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION GPR119, PPARA, PPARG RXRA 68/4885RXRB 71/4885RXRG 39/4885

“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.