SCHEMBL3776280

SCHEMBL3776280

O=C(O)[C@@H](O)C[C@@H](O)[C@H](O)CO

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.57
PDE4A P27815 1/20 0.46
USP2 O75604 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TET2 Q6N021 6/20 0.39
KDM4A O75164 2/20 0.39
KDM4C Q9H3R0 2/20 0.39
KDM2A Q9Y2K7 2/20 0.39
TET3 O43151 2/20 0.39
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
TET1 Q8NFU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
SLC1A1 P43005 1/20 0.34
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL6839524 1.00 OR51E2 (0.57) OR51E2PDE4AUSP2SLCO1B1SMN1; SMN2
SCHEMBL6839428 1.00 OR51E2 (0.57) OR51E2PDE4AUSP2SLCO1B1SMN1; SMN2
SCHEMBL3781040 1.00 OR51E2 (0.57) OR51E2PDE4AUSP2SLCO1B1SMN1; SMN2
SCHEMBL6838462 1.00 OR51E2 (0.57) OR51E2PDE4AUSP2SLCO1B1SMN1; SMN2
SCHEMBL13062508 1.00 OR51E2 (0.57) OR51E2PDE4AUSP2SLCO1B1SMN1; SMN2
SCHEMBL14643178 1.00 OR51E2 (0.57) OR51E2PDE4AUSP2SLCO1B1SMN1; SMN2
SCHEMBL13015306 1.00 OR51E2 (0.57) OR51E2PDE4AUSP2SLCO1B1SMN1; SMN2
SCHEMBL640339 1.00 OR51E2 (0.57) OR51E2PDE4AUSP2SLCO1B1SMN1; SMN2
SCHEMBL3776284 1.00 OR51E2 (0.57) OR51E2PDE4AUSP2SLCO1B1SMN1; SMN2
SCHEMBL8573155 1.00 OR51E2 (0.57) OR51E2PDE4AUSP2SLCO1B1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
EP-1636246-B1 PRODUCTION OF 2 -DEOXYNUCLEOSIDES AND 2 -DEOXYNUCLEOSIDE PRECURSORS FROM 2-DEHYDRO-3-DEOXY-D-GLUCONATE SCIENTIST OF FORTUNE SA (LU) 2015-08-19 EP disclosed
US-7858775-B2 Production of 2′-deoxynucleosides and 2′-deoxynucleoside precursors from 2-dehydro-3-deoxy-D-gluconate RHODIA CHIMIE (FR) 2010-12-28 US disclosed
US-20070212759-A1 Production Of 2'-Deoxynucleosides And 2'-Deoxynucleoside Precursors From 2-Dehydro-3-Deoxy-D-Gluconate SCIENTIST OF FORTUNE SA (LU) 2007-09-13 US disclosed
EP-1636246-A1 PRODUCTION OF 2 -DEOXYNUCLEOSIDES AND 2 -DEOXYNUCLEOSIDE PRECURSORS FROM 2-DEHYDRO-3-DEOXY-D-GLUCONATE Evologic S.A. (FR) 2006-03-22 EP disclosed
WO-2004113358-A1 PRODUCTION OF 2'-DEOXYNUCLEOSIDES AND 2'-DEOXYNUCLEOSIDE PRECURSORS FROM 2-DEHYDRO-3-DEOXY-D-GLUCONATE EVOLOGIC S.A. (FR) 2004-12-29 WO disclosed
US-20040254368-A1 Production of aldoses MITSUI CHEMICALS, INC. (JP) 2004-12-16 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-20070212759-A1 Production Of 2'-Deoxynucleosides And 2'-Deoxynucleoside Precursors From 2-Dehydro-3-Deoxy-D-Gluconate DERA, DUT, SAMHD1 OR51E2 4406/4885PDE4A 3578/4885USP2 4082/4885
US-20040254368-A1 Production of aldoses ALDOA, ADH1C, AKR1C1 OR51E2 2750/4885PDE4A 4298/4885USP2 2749/4885

“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.