SCHEMBL6984403

SCHEMBL6984403

CCCCO[C@@H]1[C@@H](O)CO[C@@H]1CO

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.37
GBA2 Q9HCG7 7/20 0.36
SPHK2 Q9NRA0 2/20 0.36
SPHK1 Q9NYA1 2/20 0.36
GJB2 P29033 1/20 0.35
UGCG Q16739 1/20 0.35

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
SCHEMBL16126848 0.90 GBA1 (0.42) GBA1GBA2SPHK2SPHK1UGCG
SCHEMBL14554178 0.83 GBA1 (0.41) GBA1SMN1; SMN2SPHK2SPHK1GJB2
SCHEMBL24163079 0.82 GAA (0.32)
SCHEMBL17861063 0.81 GBA1 (0.47) GBA1GBA2SPHK2SPHK1
SCHEMBL12942274 0.80 SMN1; SMN2 (0.49) GBA1SMN1; SMN2GBA2SPHK2SPHK1
SCHEMBL18529141 0.78 ALDH1A1 (0.47) GBA1GBA2UGCG
SCHEMBL18529131 0.78 ALDH1A1 (0.47) GBA1GBA2UGCG
SCHEMBL18529199 0.78 ALDH1A1 (0.47) GBA1GBA2UGCG
SCHEMBL15886973 0.78 GBA1 (0.46) GBA1SMN1; SMN2GBA2SPHK2SPHK1
SCHEMBL8131402 0.78 GBA1 (0.42) GBA1SMN1; SMN2SPHK2SPHK1GJB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121541-A1 3,5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF ANADYS PHARMACEUTICALS, INC. (US) 2012-05-17 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-20120121541-A1 3,5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF TLR5, THPO, IDO1 GBA1 1473/4885SMN1; SMN2 1824/4885GBA2 2296/4885

“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.