SCHEMBL4335099

SCHEMBL4335099

CC(C)OC(Cc1cccc(C#Cc2cccc(C(F)(F)F)c2)c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.54
PPARG P37231 10/20 0.54
PPARA Q07869 10/20 0.54
PPARD Q03181 5/20 0.50
FFAR1 O14842 1/20 0.50
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
PTPN1 P18031 1/20 0.45
USP2 O75604 2/20 0.43
CYP3A4 P08684 2/20 0.43
NR1I2 O75469 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
SLC6A2 P23975 1/20 0.43

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
SCHEMBL4332660 0.89 PPARA (0.47) PTGESPPARGPPARAPPARDFFAR1
SCHEMBL4339113 0.87 PPARA (0.51) PTGESPPARGPPARAPPARDFFAR1
SCHEMBL4332636 0.85 PPARA (0.45) PTGESPPARGPPARAPPARD
SCHEMBL13819376 0.85 PPARG (0.57) PPARGPPARAPPARDHTR2AHTR2C
SCHEMBL13810060 0.84 PPARA (0.45) PTGESPPARGPPARAPPARDFFAR1
SCHEMBL13810005 0.84 PPARA (0.49) PTGESPPARGPPARAPPARD
SCHEMBL4329912 0.83 PPARG (0.46) PTGESPPARGPPARAPPARDFFAR1
SCHEMBL13819769 0.83 PPARG (0.55) PPARGPPARAPPARDHTR2AHTR2C
SCHEMBL4336981 0.83 PPARA (0.46) PPARGPPARAPPARDFFAR1PTGDR2
SCHEMBL4342524 0.82 PPARG (0.51) PTGESPPARGPPARAPPARDFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 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 (1 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 PTGES 3685/4885PPARG 379/4885PPARA 339/4885

“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.