SCHEMBL2944976

SCHEMBL2944976

CCC(CC)(c1ccc(OS(C)(=O)=O)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VDR P11473 15/20 0.68
AR P10275 5/20 0.56
CYP2C19 P33261 1/20 0.47
HDAC3 O15379 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL2943706 0.92 VDR (0.81) VDRARHDAC3HDAC6
SCHEMBL2942518 0.89 VDR (0.58) VDRARCYP2C19
SCHEMBL2950031 0.89 VDR (0.64) VDRARCYP2C19HDAC3HDAC6
SCHEMBL2941251 0.87 VDR (0.67) VDRARHDAC3HDAC6
SCHEMBL2948775 0.84 VDR (0.75) VDRARHDAC3HDAC6
SCHEMBL2949109 0.84 VDR (0.75) VDRARHDAC3HDAC6
SCHEMBL2949137 0.83 VDR (0.81) VDRARHDAC3HDAC6
SCHEMBL29754394 0.82 VDR (1.00) VDRARHDAC3HDAC6
SCHEMBL7181681 0.82 VDR (1.00) VDRARHDAC3HDAC6
SCHEMBL2947701 0.82 VDR (0.66) VDRARCYP2C19HDAC3HDAC6

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-7750184-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2010-07-06 US disclosed
US-20060293385-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY, AN INDIANA CORPORATION 2006-12-28 US disclosed
EP-1687265-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-08-09 EP disclosed
WO-2005051898-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-09 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-20060293385-A1 Vitamin d receptor modulators VDR, CYP24A1, CYP2R1 VDR 1/4885AR 535/4885CYP2C19 1075/4885

“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.