SCHEMBL13830489

SCHEMBL13830489

B[C@@H]1O[C@H](COC)C(OP(C)(=O)OC)[C@@H]1O

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SMPD1 P17405 2/20 0.30
▸ FBP1 P09467 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
SCHEMBL13912378 1.00 SMPD1 (0.30) SMPD1FBP1
SCHEMBL13830290 0.95 FBP1 (0.33) FBP1
SCHEMBL10005831 0.87 FBP1 (0.34) SMPD1FBP1
SCHEMBL21202641 0.87 FBP1 (0.34) SMPD1FBP1
SCHEMBL10051004 0.87 FBP1 (0.34) SMPD1FBP1
SCHEMBL15964500 0.87 SMPD1 (0.31) SMPD1FBP1
SCHEMBL12458447 0.86 FBP1 (0.33) FBP1
SCHEMBL21202645 0.85 SMPD1 (0.30) SMPD1FBP1
SCHEMBL21474777 0.85 SMPD1 (0.30) SMPD1FBP1
SCHEMBL12523685 0.85 SMPD1 (0.41) SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170268006-A1 TOLL-LIKE RECEPTOR 9 ANTAGONIST AND METHODS OF USE THEREOF IDERA PHARMACEUTICALS INC (US) 2017-09-21 — — US disclosed
US-20120289691-A1 PROTECTED MONOMER AND METHOD OF FINAL DEPROTECTION FOR RNA SYNTHESIS AGILENT TECHNOLOGIES, INC. (US) 2012-11-15 — — 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-20170268006-A1 TOLL-LIKE RECEPTOR 9 ANTAGONIST AND METHODS OF USE THEREOF TLR9, TLR3, TLR7 SMPD1 1059/4885FBP1 2766/4885
US-20120289691-A1 PROTECTED MONOMER AND METHOD OF FINAL DEPROTECTION FOR RNA SYNTHESIS NSUN2, SNRPB2, RNGTT SMPD1 4326/4885FBP1 2059/4885

“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.

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