SCHEMBL5153519

SCHEMBL5153519

CCCc1cc(C(O)(CC)CC)ccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.42
PPARA Q07869 4/20 0.42
PPARG P37231 3/20 0.42
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
VDR P11473 2/20 0.39
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
HTR1A P08908 4/20 0.38
HTR1D P28221 4/20 0.38
HTR1B P28222 4/20 0.38
ATM Q13315 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
SCHEMBL1525558 0.83 CA5A (0.41) PPARADRD2DRD1DRD4DRD5
SCHEMBL5156376 0.82 ESR1 (0.50) PPARDPPARAPPARGVDR
SCHEMBL1092698 0.77 PPARD (0.36) PPARDPPARAPPARGDRD2DRD1
SCHEMBL1023633 0.77 PPARG (0.46) PPARDPPARAPPARGDRD2DRD1
SCHEMBL36007 0.76 PPARG (0.43) PPARDPPARAPPARGATM
SCHEMBL4376769 0.75 DRD2 (0.46) DRD2DRD1DRD4DRD5DRD3
SCHEMBL2392159 0.74 KDM4E (0.47)
SCHEMBL1777602 0.74 HSD11B1 (0.43) DRD2DRD3HTR1AHTR1DHTR1B
SCHEMBL3564585 0.72 PPARG (0.43) PPARDPPARAPPARGDRD2DRD1
SCHEMBL13857578 0.72 VDR (0.42) DRD2DRD1DRD4DRD5DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740522-A2 BISPHENYL COMPOUNDS USEFUL AS VITAMIN D SB 3 /SB RECEPTOR AGONISTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-01-10 EP disclosed
US-20060025474-A1 Bisphenyl compounds useful as vitamin D3 receptor agonists CHUGAI SEIYAKU KABUSHIKA KAISHA (JP) 2006-02-02 US disclosed
WO-2005087700-A2 BISPHENYL COMPOUNDS USEFUL AS VITAMIN D3 RECEPTOR AGONISTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-09-22 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-20060025474-A1 Bisphenyl compounds useful as vitamin D3 receptor agonists VDR, CYP2R1, CYP24A1 PPARD 115/4885PPARA 338/4885PPARG 225/4885

“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.