SCHEMBL3585865

SCHEMBL3585865

CCOC(=O)C(C)(C)Oc1ccc(O)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 12/20 0.60
PPARA Q07869 2/20 0.55
ABCB11 O95342 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
HTR2A P28223 1/20 0.55
PMP22 Q01453 1/20 0.55
PPARG P37231 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CNR2 P34972 3/20 0.40
OPRK1 P41145 1/20 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
SCHEMBL581322 0.87 TSHR (0.64) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL1549824 0.85 FBP1 (0.58) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL7980993 0.84 FBP1 (0.60) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL16585371 0.84 FBP1 (0.59) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL4678053 0.83 FBP1 (0.58) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL3905158 0.83 PPARA (0.59) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL1549946 0.83 PPARA (0.48) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL3904657 0.83 FBP1 (0.52) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL1550089 0.82 PPARA (0.50) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL4682002 0.82 FBP1 (0.57) FBP1PPARAABCB11CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087468-A1 MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2010-04-08 US disclosed
US-7622491-B2 Type 2 diabetes, atherosclerosis, cardiovascular disease, Syndrome X; carboxylic acids with dialkyldiether or thioether linking groups e.g. {4-[3-(2-Benzotriazol-2-yl-4-chloro-phenoxy)-propoxy]-phenyl}-acetic acid and {4-[3-(2-benzotriazol-2-yl-4-thiophen-2-yl-phenoxy)-propoxy]-phenyl}-acetic acid METABOLEX INC. (US) 2009-11-24 US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-20080108630-A1 SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX INC. (US) 2008-05-08 US disclosed
US-7323480-B2 Substituted triazoles as modulators of PPAR and methods of their preparation METABOLEX, INC. (US) 2008-01-29 US disclosed
EP-1776111-A2 MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2007-04-25 EP disclosed
EP-1751120-A2 SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2007-02-14 EP disclosed
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-05-11 US disclosed
US-20060058301-A1 Modulators of PPAR and methods of their preparation METABOLEX, INC. (US) 2006-03-16 US disclosed
WO-2006020916-A2 MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2006-02-23 WO disclosed
US-20060014809-A1 Substituted triazoles as modulators of PPAR and methods of their preparation METABOLEX, INC. (US) 2006-01-19 US disclosed
WO-2005115383-A2 SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2005-12-08 WO disclosed
EP-1535915-A1 FURAN OR THIOPHENE DERIVATIVE AND MEDICINAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 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-20100087468-A1 MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION PPARG, PPARD, PPARA FBP1 442/4885PPARA 3/4885ABCB11 464/4885
US-20060058301-A1 Modulators of PPAR and methods of their preparation PPARG, PPARD, PPARA FBP1 442/4885PPARA 3/4885ABCB11 464/4885
US-20060014809-A1 Substituted triazoles as modulators of PPAR and methods of their preparation PPARG, PPARD, GPR119 FBP1 969/4885PPARA 4/4885ABCB11 713/4885
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TXN2, CYP11B2, CYP11B1 FBP1 1584/4885PPARA 294/4885ABCB11 1656/4885
US-20080108630-A1 SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION PPARG, PPARD, GPR119 FBP1 969/4885PPARA 4/4885ABCB11 713/4885

“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.