SCHEMBL3391337

SCHEMBL3391337

CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C(C)C)c1)c1ccc(C(=O)OC)s1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VDR P11473 17/20 0.50
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
AR P10275 4/20 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
SCHEMBL13366786 0.89 VDR (0.47) VDRAR
SCHEMBL3391108 0.88 VDR (0.67) VDRHPGDTSHRMAPK1ATM
SCHEMBL3392813 0.87 VDR (0.53) VDRHPGDTSHRMAPK1ATM
SCHEMBL3394914 0.85 HDAC6 (0.49) VDRHPGDTSHRMAPK1ATM
SCHEMBL3395722 0.84 VDR (0.50) VDRHPGDTSHRMAPK1ATM
SCHEMBL13786308 0.82 NPSR1 (0.47) VDRHPGDTSHRMAPK1ATM
SCHEMBL3396365 0.81 NPSR1 (0.52) VDRHPGDTSHRMAPK1ATM
SCHEMBL13786185 0.80 HDAC3 (0.36) VDRHPGDTSHRMAPK1ATM
SCHEMBL3391580 0.77 HDAC6 (0.49) VDRAR
SCHEMBL27603146 0.75 KMT2A (0.37) VDRHPGDTSHRMAPK1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184281-A1 Phenyl-thiophene type vitamin D receptor modulators Eli Lilly & Company (US) 2010-05-12 EP disclosed
EP-2184281-A1 Phenyl-thiophene type vitamin D receptor modulators Eli Lilly & Company (US) 2010-05-12 EP disclosed
US-7601850-B2 less hypercalcemic than 1a,25 dihydroxy vitamin D3; bone disorders, psoriasis ELI LILLY AND COMPANY (US) 2009-10-13 US disclosed
US-7601850-B2 less hypercalcemic than 1a,25 dihydroxy vitamin D3; bone disorders, psoriasis ELI LILLY AND COMPANY (US) 2009-10-13 US disclosed
US-7601850-B2 less hypercalcemic than 1a,25 dihydroxy vitamin D3; bone disorders, psoriasis ELI LILLY AND COMPANY (US) 2009-10-13 US disclosed
EP-1511740-B1 PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2009-07-08 EP disclosed
EP-1511740-B1 PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2009-07-08 EP disclosed
CN-100471853-C Phenyl-thiophene type vitamin D receptor modulators LILLY CO ELI (US) 2009-03-25 CN disclosed
US-20060287536-A1 Phenyl-thiophene type vitamin d receptor modulators ELI LILLY AND COMPANY 2006-12-21 US disclosed
US-20060135484-A1 Vesicant treatment with phenyl-thiophene type vitamin d receptor modulators ELI LILLY AND COMPANY PATENT DIVISON (US) 2006-06-22 US disclosed
EP-1587905-A3 VESICANT TREATMENT WITH PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-12-14 EP disclosed
EP-1587905-A2 VESICANT TREATMENT WITH PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-26 EP disclosed
CN-1656089-A Phenyl-thiophene type vitamin D receptor modulators LILLY CO ELI (US) 2005-08-17 CN disclosed
EP-1511740-A1 PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-09 EP disclosed
WO-2004063348-A2 VESICANT TREATMENT WITH PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
WO-2003101978-A1 PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-12-11 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 (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-20060135484-A1 Vesicant treatment with phenyl-thiophene type vitamin d receptor modulators VDR, CYP2R1, CYP24A1 VDR 1/4885HPGD 359/4885TSHR 458/4885
US-20060287536-A1 Phenyl-thiophene type vitamin d receptor modulators VDR, CYP2R1, CYP24A1 VDR 1/4885HPGD 573/4885TSHR 92/4885

“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.