SCHEMBL2272003

SCHEMBL2272003

O=C(O)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.77
RXRG P48443 13/20 0.77
RXRB P28702 12/20 0.77
PSEN1 P49768 1/20 0.71
PSEN2 P49810 1/20 0.71
APH1B Q8WW43 1/20 0.71
NCSTN Q92542 1/20 0.71
APH1A Q96BI3 1/20 0.71
PSENEN Q9NZ42 1/20 0.71
ABCC4 O15439 1/20 0.62
LMNA P02545 1/20 0.62
GAA P10253 1/20 0.62
TSHR P16473 1/20 0.62
PTGS1 P23219 1/20 0.62
HTT P42858 1/20 0.62
CYP2C9 P11712 1/20 0.58
PPARD Q03181 3/20 0.56
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
KIF11 P52732 1/20 0.52

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
SCHEMBL267205 0.94 RXRA (0.68) RXRARXRGRXRBPSEN1PSEN2
Hydrochloric Acid SCHEMBL2528774 0.92 RXRA (0.66) RXRARXRGRXRBPSEN1PSEN2
Water SCHEMBL28015733 0.92 RXRA (0.66) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL491483 0.87 RXRA (0.71) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL5464443 0.84 RXRA (0.57) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL8329343 0.84 LTA4H (0.60) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL18427891 0.83 LMNA (0.86) RXRARXRGRXRBABCC4LMNA
SCHEMBL68027 0.83 LMNA (0.86) RXRARXRGRXRBABCC4LMNA
SCHEMBL6267349 0.83 PSEN1 (0.64) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL4597847 0.83 PSEN1 (1.00) RXRARXRGRXRBPSEN1PSEN2

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
WO-2020040326-A1 PHENYLACETIC ACID DERIVATIVE, AND COMPOSITION FOR PREVENTING OR TREATING AUTOIMMUNE DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT 가천대학교 산학협력단 2020-02-27 WO 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
EP-1494989-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2005-01-12 EP disclosed
US-20040043904-A1 N-(4-pyrazolyl) amide derivatives, chemicals for agricultural and horticultural use, and usage of the same NIHON NOHYAKU CO., LTD. (JP) 2004-03-04 US 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
EP-1319657-A1 N-(4-PYRAZOLYL)AMIDE DERIVATIVES, CHEMICALS FOR AGRICULTURAL AND HORTICULTURAL USE, AND USAGE OF THE SAME Nihon Nohyaku Co., Ltd. (JP) 2003-06-18 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 (5 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 68/4885RXRG 39/4885RXRB 71/4885
US-20080125468-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR RXRA 571/4885RXRG 475/4885RXRB 565/4885
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG RXRA 68/4885RXRG 39/4885RXRB 71/4885
US-20040043904-A1 N-(4-pyrazolyl) amide derivatives, chemicals for agricultural and horticultural use, and usage of the same CBR3, CYP8B1, CBR1 RXRA 3562/4885RXRG 3550/4885RXRB 3816/4885
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION GPR119, PPARA, PPARG RXRA 68/4885RXRG 39/4885RXRB 71/4885

“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.