SCHEMBL13670636

SCHEMBL13670636

Cc1ccc(S(=O)(=O)OCCCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 1/20 0.39
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 1/20 0.36
PSMD10 O75832 1/20 0.36
SMYD2 Q9NRG4 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
VDR P11473 1/20 0.35
STAT3 P40763 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL7277568 0.99 CYP24A1 (0.40) CYP24A1CYP3A4CYP2C19PSMD10SMYD2
SCHEMBL3290837 0.96 CYP24A1 (0.40) CYP24A1CYP3A4CYP2C19PSMD10SMYD2
SCHEMBL4951192 0.91 CYP3A4 (0.38) CYP24A1CYP3A4CYP2C19SMYD2HTT
SCHEMBL3021239 0.88 CYP3A4 (0.36) CYP24A1CYP3A4CYP2C19SMYD2HTT
SCHEMBL3409599 0.88 CYP3A4 (0.36) CYP24A1CYP3A4CYP2C19SMYD2HTT
SCHEMBL18290138 0.88 CYP3A4 (0.33) CYP24A1CYP3A4CYP2C19SMYD2HTT
SCHEMBL5273167 0.85 CYP24A1 (0.38) CYP24A1CYP3A4CYP2C19PSMD10HTT
SCHEMBL23540090 0.83 KMT2A (0.34) CYP24A1CYP3A4CYP2C19SMYD2HTT
SCHEMBL13250784 0.83 KEAP1 (0.36) CYP24A1CYP3A4CYP2C19SMYD2HTT
SCHEMBL20601810 0.82 CYP3A4 (0.37) CYP3A4CYP2C19HTTSMN1; SMN2KEAP1

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-7598289-B2 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2009-10-06 US disclosed
US-7572825-B2 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2009-08-11 US disclosed
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2008-12-18 US disclosed
US-20070027112-A1 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN, THE (GB) 2007-02-01 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-20070027112-A1 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions OXER1, ESRRA, NR5A1 CYP24A1 117/4885CYP3A4 1511/4885CYP2C19 3169/4885
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS AK1, IRAK1, CNKSR1 CYP24A1 404/4885CYP3A4 614/4885CYP2C19 842/4885

“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.