SCHEMBL3173563

SCHEMBL3173563

CC(=O)C(O)[C@H]1OC(O)(C(C)=O)[C@](O)(Cc2ccccc2)[C@](O)(Cc2ccccc2)[C@@]1(O)Cc1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
GRIN2B Q13224 2/20 0.31
MAOB P27338 1/20 0.30

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
SCHEMBL1660908 0.87 MTNR1A (0.33) ALDH1A1
SCHEMBL16099547 0.85 ALDH1A1 (0.31) ALDH1A1CYP3A4GRIN2BMAOB
SCHEMBL16099270 0.83 CYP3A4 (0.30) CYP3A4
SCHEMBL16100069 0.81 CYP3A4 (0.30) CYP3A4
SCHEMBL3164039 0.77 GRIN2B (0.37) GRIN2B
SCHEMBL9222201 0.76 ALDH1A1 (0.30) ALDH1A1CYP3A4
SCHEMBL630041 0.73 CYP3A4 (0.33) ALDH1A1CYP3A4GRIN2B
SCHEMBL629913 0.73 CYP3A4 (0.33) ALDH1A1CYP3A4GRIN2B
SCHEMBL16098780 0.73 ALDH1A1 (0.31) ALDH1A1CYP3A4GRIN2B
SCHEMBL16094286 0.72 CYP3A4 (0.30) CYP3A4GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7648966-B2 Mannose-6-phosphonate compounds for the treatment of inflammatory diseases Pharmaxis Pty Limited (AU) 2010-01-19 US disclosed
EP-1628987-B1 MANNOSE-6-PHOSPHONATE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES PHARMAXIS PTY LTD (AU) 2009-08-19 EP disclosed
US-20070082850-A1 Mannose-6-phosphonate compounds for the treatment of inflammatory diseases PHARMAXIX PTY LTD (AU) 2007-04-12 US disclosed
EP-1628987-A2 MANNOSE-6-PHOSPHONATE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES Pharmaxis Pty Ltd. (AU) 2006-03-01 EP disclosed
WO-2004104015-A2 MANNOSE-6-PHOSPHONATE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES PHARMAXIS PTY LTD. (AU) 2004-12-02 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 (1 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-20070082850-A1 Mannose-6-phosphonate compounds for the treatment of inflammatory diseases PMM2, CD4, MPI ALDH1A1 2152/4885CYP3A4 4047/4885GRIN2B 4119/4885

“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.