SCHEMBL4458261

SCHEMBL4458261

Oc1ccc(CC(F)(F)F)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.52
CA1 P00915 5/20 0.47
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 1/20 0.45
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
IGF1R P08069 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B2 P37059 3/20 0.41
DBH P09172 1/20 0.41
FDPS P14324 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
ESR2 Q92731 1/20 0.38
PIK3CA P42336 1/20 0.37

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
SCHEMBL27738563 0.81 IDO1 (0.52) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4452160 0.81 CA2 (0.49) CA2CA1HSD17B10CYP1A2CYP3A4
SCHEMBL4452262 0.80 CA2 (0.54) CA2CA1HSD17B10CYP1A2CYP3A4
SCHEMBL16959914 0.78 PIK3CA (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14047850 0.78 CYP3A4 (0.42) CA2CA1HSD17B10CYP1A2CYP3A4
SCHEMBL9773533 0.76 CA2 (0.61) CA2CA1HSD17B10CYP1A2CYP3A4
SCHEMBL71042 0.76 HSD17B10 (0.63) CA2CA1HSD17B10CYP1A2CYP3A4
SCHEMBL27037875 0.76 ALDH1A1 (0.46) CA2CA1HSD17B10CYP1A2CYP3A4
SCHEMBL22033092 0.76 CA2 (0.51) CA2CA1HSD17B10CYP1A2CYP3A4
SCHEMBL25596189 0.75 CA2 (0.47) CA2CA1HSD17B10CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524882-B2 PPAR alpha selective compounds for the treatment of dyslipidemia and other lipid disorders MERCK & CO., INC. (US) 2009-04-28 US disclosed
US-7524882-B2 PPAR alpha selective compounds for the treatment of dyslipidemia and other lipid disorders MERCK & CO., INC. (US) 2009-04-28 US disclosed
US-7524882-B2 PPAR alpha selective compounds for the treatment of dyslipidemia and other lipid disorders MERCK & CO., INC. (US) 2009-04-28 US disclosed
EP-1539136-B1 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO INC (US) 2008-07-09 EP disclosed
EP-1539136-B1 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO INC (US) 2008-07-09 EP disclosed
EP-1539136-A4 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO INC (US) 2006-10-18 EP disclosed
US-20050228044-A1 Ppar alpha selective compounds for the treatment of dyslipidemia and other lipid disorders MERCK SHARP & DOHME CORP. 2005-10-13 US disclosed
EP-1539136-A2 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS Merck & Co., Inc. (US) 2005-06-15 EP disclosed
WO-2004010936-A2 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO., INC. (US) 2004-02-05 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-20050228044-A1 Ppar alpha selective compounds for the treatment of dyslipidemia and other lipid disorders PPARD, PPARA, PPARG CA2 4816/4885CA1 4877/4885HSD17B10 72/4885

“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.