SCHEMBL1506403

SCHEMBL1506403

O=Cc1cc2c(cc1OS(=O)(=O)C(F)(F)F)CCCC2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.34
SLC2A1 P11166 1/20 0.32
DRD2 P14416 8/20 0.32
DRD3 P35462 5/20 0.32
HTR1D P28221 3/20 0.32
DRD1 P21728 2/20 0.32
DRD4 P21917 2/20 0.32
DRD5 P21918 2/20 0.32
EPAS1 Q99814 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL17890439 0.80 ESR1 (0.38) MEN1KMT2AALDH1A1
SCHEMBL17397862 0.79 ERN1 (0.39) ALDH1A1
SCHEMBL12533716 0.78 STS (0.36) STSSLC2A1DRD2DRD3HTR1D
SCHEMBL10157971 0.75 DRD2 (0.34) STSDRD2DRD3HTR1DDRD1
SCHEMBL1506583 0.75 SLC2A1 (0.39) STSSLC2A1DRD2DRD3HTR1D
SCHEMBL1506497 0.75 SLC2A1 (0.36) STSSLC2A1DRD2DRD3HTR1D
SCHEMBL5744169 0.75 LMNA (0.45) EPAS1MEN1KMT2AALDH1A1
SCHEMBL29591010 0.75 ESR2 (0.49) DRD2MEN1KMT2A
SCHEMBL19249620 0.74 DRD2 (0.35) DRD2DRD3HTR1DDRD1DRD4
SCHEMBL1506665 0.74 DRD2 (0.37) STSDRD2DRD3HTR1DDRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971595-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-10-16 EP disclosed
US-7910592-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-22 US disclosed
US-7910592-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-22 US disclosed
US-20090042892-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-02-12 US disclosed
US-20090042892-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-02-12 US disclosed
EP-1971595-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-09-24 EP disclosed
WO-2007081569-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-07-19 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-20090042892-A1 Cetp Inhibitors CETP, APOB, MTTP STS 1783/4885SLC2A1 2986/4885DRD2 4782/4885

“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.