SCHEMBL2085237

SCHEMBL2085237

CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1ccc2sc(C(=O)O)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.59
HDAC3 O15379 3/20 0.59
HDAC1 Q13547 1/20 0.59
VDR P11473 11/20 0.59
AR P10275 4/20 0.59

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
SCHEMBL2083232 0.92 HDAC6 (0.59) HDAC6HDAC3HDAC1VDRAR
SCHEMBL2081448 0.88 VDR (0.62) HDAC6HDAC3HDAC1VDRAR
SCHEMBL2083787 0.84 HDAC6 (0.58) HDAC6HDAC3HDAC1VDRAR
SCHEMBL2083082 0.84 VDR (0.69) HDAC6HDAC3VDRAR
SCHEMBL3394185 0.82 HDAC6 (0.60) HDAC6HDAC3HDAC1VDRAR
SCHEMBL14445480 0.82 VDR (0.59) HDAC6HDAC3HDAC1VDRAR
SCHEMBL2084614 0.82 HDAC6 (0.56) HDAC6HDAC3HDAC1VDRAR
SCHEMBL1778198 0.81 HDAC6 (0.64) HDAC6HDAC3HDAC1VDRAR
SCHEMBL2978821 0.81 VDR (0.69) HDAC6HDAC3HDAC1VDRAR
SCHEMBL13203745 0.81 VDR (0.69) HDAC6HDAC3HDAC1VDRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897789-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2011-03-01 US disclosed
US-7897789-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2011-03-01 US disclosed
US-7897789-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2011-03-01 US disclosed
US-20100076065-A1 VITAMIN D RECEPTOR MODULATORS LU JIANLIANG 2010-03-25 US disclosed
US-20100076065-A1 VITAMIN D RECEPTOR MODULATORS LU JIANLIANG 2010-03-25 US disclosed
US-20100076065-A1 VITAMIN D RECEPTOR MODULATORS LU JIANLIANG 2010-03-25 US disclosed
US-7582775-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-09-01 US disclosed
US-7582775-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-09-01 US disclosed
US-7582775-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-09-01 US disclosed
EP-1687292-B1 VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2007-08-22 EP disclosed
EP-1687292-B1 VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2007-08-22 EP disclosed
US-20070149810-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY (US) 2007-06-28 US disclosed
US-20070149810-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY (US) 2007-06-28 US disclosed
US-20070149810-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY (US) 2007-06-28 US 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 (2 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-20100076065-A1 VITAMIN D RECEPTOR MODULATORS VDR, CYP2R1, CYP24A1 HDAC6 4364/4885HDAC3 1738/4885HDAC1 2597/4885
US-20070149810-A1 Vitamin d receptor modulators VDR, CYP2R1, CYP24A1 HDAC6 4364/4885HDAC3 1738/4885HDAC1 2597/4885

“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.