SCHEMBL5845679

SCHEMBL5845679

CC1(C)O[C@@H]2O[C@@](COCOS(C)(=O)=O)(COS(C)(=O)=O)[C@@H](OCc3ccccc3)[C@H]2O1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
GSTP1 P09211 2/20 0.31
IDO1 P14902 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
SCHEMBL1097047 0.94 ALDH1A1 (0.32) ALDH1A1GSTP1IDO1
SCHEMBL25277740 0.94 ALDH1A1 (0.34) ALDH1A1GSTP1IDO1
SCHEMBL4621793 0.84 ALDH1A1 (0.45) ALDH1A1GSTP1
SCHEMBL23818791 0.83 TSHR (0.36) ALDH1A1GSTP1IDO1
SCHEMBL20394083 0.83 ALDH1A1 (0.30) ALDH1A1
SCHEMBL1059386 0.83 CA2 (0.32) ALDH1A1IDO1
SCHEMBL20394068 0.83 CA2 (0.32) ALDH1A1IDO1
SCHEMBL130438 0.83 APLNR (0.33)
SCHEMBL14511263 0.82 APLNR (0.36) ALDH1A1IDO1
SCHEMBL133350 0.82 APLNR (0.36) ALDH1A1IDO1

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
EP-1334109-B1 IMPROVED SYNTHESIS OF PURINE LOCKED NUCLEIC ACID ANALOGUES SANTARIS PHARMA AS (DK) 2006-05-10 EP disclosed
US-6998484-B2 Synthesis of purine locked nucleic acid analogues SANTARIS PHARMA A/S (DK) 2006-02-14 US disclosed
US-20020086998-A1 Synthesis of purine locked nucleic acid analogues SANTARIS PHARMA A/S (DK) 2002-07-04 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-20020086998-A1 Synthesis of purine locked nucleic acid analogues RNGTT, PNP, UNG ALDH1A1 1637/4885GSTP1 3174/4885IDO1 2575/4885

“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.