SCHEMBL3169238

SCHEMBL3169238

CC1(O)O[C@H](C(O)Cc2ccccc2)[C@](O)(Cc2ccccc2)[C@@](O)(Cc2ccccc2)[C@@]1(O)Cc1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.32
LAP3 P28838 1/20 0.32
TRPA1 O75762 2/20 0.32
TAAR1 Q96RJ0 2/20 0.31
SLC18A2 Q05940 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
PSMB5 P28074 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
SCHEMBL7508602 0.85 TRPA1 (0.31) TRPA1
SCHEMBL7539818 0.84 GRIN2D (0.30) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL28574730 0.84 GRIN2D (0.30) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL7544995 0.84 GRIN2D (0.30) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL7545125 0.84 GRIN2D (0.30) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL9716882 0.83 GRIN2D (0.31) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL1660908 0.83 MTNR1A (0.33)
SCHEMBL5466217 0.79 ANPEP (0.32) ANPEPLAP3TRPA1GRIN2DGRIN3B
SCHEMBL2045566 0.77 GRIN2D (0.31) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL8583373 0.77 GRIN2D (0.31) GRIN2DGRIN3BADRA1DADRA1AADRA1B

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 3 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

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 ANPEP 579/4885LAP3 2085/4885TRPA1 2710/4885

“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.