Sugi Predict

Sugi Predict / Compounds / SCHEMBL3392848

SCHEMBL3392848

SCHEMBL3392848

CCC(CC)(c1ccc(OCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C)c(C)c1)c1cc(C)c(COCC(=O)OC)s1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 10/20 0.51
▸ HDAC3 O15379 6/20 0.51
▸ HDAC1 Q13547 1/20 0.41
▸ VDR P11473 6/20 0.38
▸ AR P10275 4/20 0.38

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
SCHEMBL3395394 0.87 HDAC6 (0.51) HDAC6HDAC3HDAC1VDRAR
SCHEMBL2963670 0.87 HDAC6 (0.48) HDAC6HDAC3HDAC1VDRAR
SCHEMBL3389749 0.84 HDAC3 (0.51) HDAC6HDAC3VDRAR
SCHEMBL3392175 0.84 HDAC6 (0.48) HDAC6HDAC3HDAC1VDRAR
SCHEMBL3392960 0.83 HDAC6 (0.44) HDAC6HDAC3HDAC1VDRAR
SCHEMBL3390977 0.83 HDAC6 (0.49) HDAC6HDAC3HDAC1VDRAR
SCHEMBL4494822 0.83 HDAC6 (0.51) HDAC6HDAC3HDAC1VDRAR
Acetic Acid Methyl Ester SCHEMBL3392963 0.82 HDAC6 (0.46) HDAC6HDAC3HDAC1VDRAR
SCHEMBL3394911 0.80 HDAC6 (0.46) HDAC6HDAC3HDAC1VDRAR
SCHEMBL3395595 0.80 HDAC3 (0.45) 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 9 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
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
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
WO-2004063348-A2 VESICANT TREATMENT WITH PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 — — 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 HDAC6 4529/4885HDAC3 3386/4885HDAC1 4086/4885
US-20060287536-A1 Phenyl-thiophene type vitamin d receptor modulators VDR, CYP2R1, CYP24A1 HDAC6 4626/4885HDAC3 2229/4885HDAC1 2621/4885

“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.