SCHEMBL3070932

SCHEMBL3070932

Cc1ccccc1C=CC(Oc1ccc(C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
SLC6A9 P48067 7/20 0.41
PTPN1 P18031 2/20 0.40
SLC6A4 P31645 4/20 0.38
RAB9A P51151 3/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A3 Q01959 3/20 0.38
HRH3 Q9Y5N1 2/20 0.38
NPC1 O15118 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
MTOR P42345 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KCNK2 O95069 2/20 0.38
HTT P42858 2/20 0.38
KCNH2 Q12809 2/20 0.38
CACNA1C Q13936 2/20 0.38
CYP1A1 P04798 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
SCHEMBL3062673 0.83 PPARG (0.52) PPARGPPARASLC6A9SLC6A4SLC6A2
SCHEMBL11988779 0.83 PPARG (0.52) PPARGPPARASLC6A9SLC6A4SLC6A2
SCHEMBL3062675 0.83 PPARG (0.52) PPARGPPARASLC6A9SLC6A4SLC6A2
SCHEMBL3070928 0.74 NOS3 (0.49) PPARGPPARASLC6A9SLC6A4RAB9A
SCHEMBL11988775 0.74 NOS3 (0.49) PPARGPPARASLC6A9SLC6A4RAB9A
SCHEMBL3070930 0.73 PPARG (0.50) PPARGPPARASLC6A9SLC6A4RAB9A
SCHEMBL25212758 0.68 CYP1A2 (0.59) PPARGPPARASLC6A9CYP2C19CYP1A2
SCHEMBL22398224 0.68 NFE2L2 (0.55) RAB9ACYP1A1CYP1B1KDM4ECYP1A2
SCHEMBL22398221 0.68 NFE2L2 (0.55) RAB9ACYP1A1CYP1B1KDM4ECYP1A2
SCHEMBL21057241 0.68 CYP1A2 (0.59) PPARGPPARASLC6A9CYP2C19CYP1A2

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-8247448-B2 Butenoic acid derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them, and use for the treatment of dyslipidaemia, atherosclerosis and diabetes MERCK PATENT GMBH (DE) 2012-08-21 US disclosed
US-7820847-B2 Butenoic acid derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them and use for the treatment of dyslipidaemia, atherosclerosis and diabetes MERCK PATENT GMBH (DE) 2010-10-26 US disclosed
US-20100261789-A1 Butenoic acid derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them, and use for the treatment of dyslipidaemia, atherosclerosis and diabetes ZEILLER JEAN-JACQUES 2010-10-14 US disclosed
US-20060178434-A1 Butenoic acid derivatives processes for the preparation thereof pharmaceutical compositions comprising them and use for the treatment of dyslipidaemia atherosclerosis and diabetes MERCK PATENT GMBH (DE) 2006-08-10 US 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-20100261789-A1 Butenoic acid derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them, and use for the treatment of dyslipidaemia, atherosclerosis and diabetes ALOX15, LIPA, APOB PPARG 130/4885PPARA 75/4885SLC6A9 4405/4885
US-20060178434-A1 Butenoic acid derivatives processes for the preparation thereof pharmaceutical compositions comprising them and use for the treatment of dyslipidaemia atherosclerosis and diabetes APOB, ALOX15, GPR119 PPARG 136/4885PPARA 87/4885SLC6A9 4506/4885

“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.