SCHEMBL4454865

SCHEMBL4454865

COC(=O)[C@]1(C(C)C)Cc2cc(OS(=O)(=O)C(F)(F)F)ccc2O1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.49
CXCR2 P25025 2/20 0.40
HSD11B1 P28845 1/20 0.38
CXCR1 P25024 1/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
CHRM1 P11229 1/20 0.37
DRD4 P21917 1/20 0.37
HTR1D P28221 1/20 0.35
PPARD Q03181 1/20 0.35
KDM4E B2RXH2 1/20 0.34
KLK7 P49862 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL4454340 0.79 PPARA (0.41) PPARAKDM4E
SCHEMBL10407932 0.70 KDM4E (0.38) PPARACXCR2HSD11B1CXCR1PPARD
SCHEMBL7795628 0.70 CXCR2 (0.39) PPARACXCR2HSD11B1CXCR1DRD2
SCHEMBL4460348 0.67 SMN1; SMN2 (0.48) PPARADRD2KDM4EKLK7
SCHEMBL4456633 0.67 PPARA (0.50) PPARAKDM4EPTGS2
SCHEMBL16207566 0.66 CXCR2 (0.48) CXCR2HSD11B1CXCR1DRD2DRD3
SCHEMBL16219340 0.66 CXCR2 (0.48) CXCR2HSD11B1CXCR1DRD2DRD3
SCHEMBL7921681 0.66 RORC (0.42) CXCR2HSD11B1CXCR1DRD2DRD3
SCHEMBL1390545 0.66 RORC (0.42) CXCR2HSD11B1CXCR1DRD2DRD3
SCHEMBL1390598 0.66 RORC (0.42) CXCR2HSD11B1CXCR1DRD2DRD3

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 6 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
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 PPARA 2/4885CXCR2 2750/4885HSD11B1 126/4885

“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.