SCHEMBL2977909

SCHEMBL2977909

CCC(CC)(c1ccc(CNCCS(C)(=O)=O)c(C)c1)c1ccc(OCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.43
HDAC3 O15379 3/20 0.43
HDAC1 Q13547 1/20 0.40
VDR P11473 9/20 0.39
AR P10275 5/20 0.39

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
SCHEMBL13203696 1.00 HDAC6 (0.43) HDAC6HDAC3HDAC1VDRAR
SCHEMBL13203698 0.84 HDAC6 (0.60) HDAC6HDAC3HDAC1VDRAR
SCHEMBL2970308 0.84 HDAC6 (0.60) HDAC6HDAC3HDAC1VDRAR
SCHEMBL6227269 0.83 HDAC3 (0.30) HDAC6HDAC3
SCHEMBL13203690 0.80 VDR (0.54) HDAC6HDAC3VDRAR
SCHEMBL2965714 0.80 VDR (0.54) HDAC6HDAC3VDRAR
SCHEMBL13798729 0.79 HDAC6 (0.45) HDAC6HDAC3HDAC1VDRAR
SCHEMBL2971492 0.78 VDR (0.45) HDAC6HDAC3HDAC1VDRAR
SCHEMBL13203692 0.78 VDR (0.45) HDAC6HDAC3HDAC1VDRAR
SCHEMBL2971593 0.77 VDR (0.65) HDAC6HDAC3VDRAR

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-7772425-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2010-08-10 US disclosed
US-20090227604-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-10 US disclosed
US-7566803-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-07-28 US disclosed
US-20090018058-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY (US) 2009-01-15 US disclosed
US-20060094778-A1 Vesicant treatment with phenyl-phenyl type vitamin d receptor modulators ELI LILLY AND COMPANY, AN INDIANA CORPORATION 2006-05-04 US disclosed
EP-1587906-A2 VESICANT TREATMENT WITH PHENYL-PHENYL TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-26 EP disclosed
EP-1565422-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-08-24 EP disclosed
WO-2004063345-A2 VESICANT TREATMENT WITH PHENYL-PHENYL TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
WO-2004048309-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-10 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 (3 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-20090227604-A1 VITAMIN D RECEPTOR MODULATORS VDR, CYP24A1, CYP2R1 HDAC6 4639/4885HDAC3 2546/4885HDAC1 3029/4885
US-20090018058-A1 Vitamin D Receptor Modulators VDR, CYP2R1, CYP24A1 HDAC6 4137/4885HDAC3 1685/4885HDAC1 2890/4885
US-20060094778-A1 Vesicant treatment with phenyl-phenyl type vitamin d receptor modulators VDR, CYP2R1, CYP24A1 HDAC6 4452/4885HDAC3 2892/4885HDAC1 3752/4885

“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.