SCHEMBL5994930

SCHEMBL5994930

COC(=O)C(Cc1ccc(O)cc1)OCC(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.52
ESR2 Q92731 5/20 0.52
MIF P14174 2/20 0.46
MDM4 O15151 1/20 0.43
MDM2 Q00987 1/20 0.43
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.41
LNPEP Q9UIQ6 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
PTGS2 P35354 2/20 0.39
NLRP3 Q96P20 1/20 0.38
ACE P12821 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4158540 0.87 PPARG (0.49) ESR1ESR2PPARGPPARAPTGS2
SCHEMBL5272161 0.84 PPARA (0.48) ESR1ESR2PPARGPPARAACE
SCHEMBL3535230 0.82 ESR1 (0.58) ESR1ESR2MIFMDM4MDM2
SCHEMBL3535227 0.82 ESR1 (0.58) ESR1ESR2MIFMDM4MDM2
SCHEMBL5892186 0.81 PPARG (0.45) PPARGPPARA
SCHEMBL4343679 0.81 PPARG (0.45) PPARGPPARA
SCHEMBL542969 0.80 ESR1 (0.63) ESR1ESR2MIFMDM4MDM2
SCHEMBL542970 0.80 ESR1 (0.63) ESR1ESR2MIFMDM4MDM2
SCHEMBL5024580 0.80 ESR1 (0.63) ESR1ESR2MIFMDM4MDM2
SCHEMBL5991961 0.79 ESR1 (0.55) ESR1ESR2MIFMDM4MDM2

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-20060173204-A1 New 3-aryl propionic acid derivatives and analogs ANDERSSON KJELL 2006-08-03 US disclosed
US-20040229949-A1 New 3-aryl propionic acid derivatives and analogs ANDERSSON KJELL (SE) 2004-11-18 US disclosed
US-6630600-B1 Intermediate for their manufacture, pharmaceutical preparations containing them and the use of the compounds in clinical conditions associated with insulin resistance. ASTRAZENECA AB (SE) 2003-10-07 US disclosed
EP-1084102-B1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed
EP-0648212-B1 BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES AS PHARMACEUTICAL SMITHKLINE BEECHAM PLC (GB) 2001-10-24 EP disclosed
EP-1084102-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS AstraZeneca AB (SE) 2001-03-21 EP disclosed
EP-1000938-A1 Heterocyclic compounds as pharmaceuticals SMITHKLINE BEECHAM PLC (GB) 2000-05-17 EP disclosed
US-6048883-A HYPOGLYCEMIC AGENT SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-11 US disclosed
WO-1999062871-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS ASTRAZENECA AB (SE) 1999-12-09 WO disclosed
US-5869495-A TREATMENT AND/OR PROPHYLAXIS OF HYPERGLYCAEMIA SMITHKLINE BEECHAM P.L.C. (GB) 1999-02-09 US disclosed
US-5827865-A TREATMENT AND-OR PROPHYLAXIS OF HYPERGLYEMIA SMITHKLINE BEECHAM P.L.C. (GB) 1998-10-27 US disclosed
EP-0648212-A1 HETEROCYCLIC COMPOUNDS AS PHARMACEUTICAL SMITHKLINE BEECHAM PLC (GB) 1995-04-19 EP disclosed
WO-1994001420-A1 HETEROCYCLIC COMPOUNDS AS PHARMACEUTICAL SMITHKLINE BEECHAM PLC (GB) 1994-01-20 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 (2 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-20040229949-A1 New 3-aryl propionic acid derivatives and analogs GPR119, INSR, IRS1 ESR1 2335/4885ESR2 1165/4885MIF 2463/4885
US-20060173204-A1 New 3-aryl propionic acid derivatives and analogs GPR119, INSR, IRS1 ESR1 2335/4885ESR2 1165/4885MIF 2463/4885

“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.