SCHEMBL4874812

SCHEMBL4874812

C=CCC(Oc1ccc(C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.62
PPARA Q07869 14/20 0.62
PTPN1 P18031 2/20 0.43
SLC6A9 P48067 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KCNK2 O95069 1/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1C Q13936 1/20 0.40

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
SCHEMBL4874817 1.00 PPARG (0.62) PPARGPPARAPTPN1SLC6A9SLC6A2
SCHEMBL4874822 1.00 PPARG (0.62) PPARGPPARAPTPN1SLC6A9SLC6A2
SCHEMBL1343050 0.86 PPARG (0.59) PPARGPPARAPTPN1SLC6A9SLC6A2
SCHEMBL9797759 0.85 PPARG (0.66) PPARGPPARASLC6A9
SCHEMBL5601391 0.83 PPARG (0.47) PPARGPPARAPTPN1SLC6A9
Hydrochloric Acid SCHEMBL9811662 0.83 PPARG (0.64) PPARGPPARASLC6A9
SCHEMBL585488 0.81 PPARG (0.53) PPARGPPARA
SCHEMBL16571566 0.80 PPARG (0.67) PPARGPPARAPTPN1SLC6A9
SCHEMBL9062048 0.79 PPARG (0.61) PPARGPPARA
SCHEMBL9062031 0.78 PPARG (0.49) PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015253-A1 Pentenoic Acid Derivatives, Processes For The Preparation Thereof, Pharmaceutical Compositions Comprising Them, And Therapeutic Applications Thereof MERCK PATENT GMBH (DE) 2008-01-17 US claimed
JP-2007536289-A 2007-12-13 JP claimed
EP-1742903-B1 PENTENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF MERCK PATENT GMBH (DE) 2007-08-22 EP claimed
EP-1742903-A1 PENTENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF MERCK PATENT GmbH (DE) 2007-01-17 EP claimed
WO-2005105723-A1 PENTENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF MERCK PATENT GMBH (DE) 2005-11-10 WO claimed
US-7465752-B2 Pentenoic acid derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them, and therapeutic applications thereof MERCK PATENT GMBH (DE) 2008-12-16 US disclosed
US-20080015253-A1 Pentenoic Acid Derivatives, Processes For The Preparation Thereof, Pharmaceutical Compositions Comprising Them, And Therapeutic Applications Thereof MERCK PATENT GMBH (DE) 2008-01-17 US disclosed
EP-1742903-B1 PENTENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF MERCK PATENT GMBH (DE) 2007-08-22 EP disclosed
EP-1742903-A1 PENTENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF MERCK PATENT GmbH (DE) 2007-01-17 EP disclosed
WO-2005105723-A1 PENTENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF MERCK PATENT GMBH (DE) 2005-11-10 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 (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-20080015253-A1 Pentenoic Acid Derivatives, Processes For The Preparation Thereof, Pharmaceutical Compositions Comprising Them, And Therapeutic Applications Thereof ALOX5, GPR119, ALOX15B PPARG 110/4885PPARA 62/4885PTPN1 3394/4885

“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.