SCHEMBL2169970

SCHEMBL2169970

CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ MMP12 P39900 2/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ PYGB P11216 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CD69 Q07108 1/20 0.39

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
SCHEMBL309481 1.00 CA1 (0.47) CA1CA2CA9ALDH1A1THRB
SCHEMBL4345382 1.00 CA1 (0.47) CA1CA2CA9ALDH1A1THRB
SCHEMBL8653916 0.90 ALDH1A1 (0.48) CA1CA2CA9ALDH1A1THRB
SCHEMBL1115743 0.87 ALDH1A1 (0.50) CA1CA2CA9ALDH1A1THRB
SCHEMBL308568 0.87 ALDH1A1 (0.50) CA1CA2CA9ALDH1A1THRB
SCHEMBL309095 0.87 ALDH1A1 (0.50) CA1CA2CA9ALDH1A1THRB
SCHEMBL308565 0.87 ALDH1A1 (0.50) CA1CA2CA9ALDH1A1THRB
SCHEMBL31206852 0.84 CA12 (0.45) CA1CA2CA9PYGBGAA
SCHEMBL22346509 0.83 CA12 (0.48) CA1CA2CA9PYGBGAA
SCHEMBL23066316 0.81 PYGB (0.41) CA1CA2CA9PYGBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4314816-A2 DIAGNOSTIC PROCESS FOR THE DETERMINATION OF PERIMENOPAUSE OR MENOPAUSE STATUS VIA ANALYSIS OF THE IGG GLYCOME Genos d.o.o. (HR) 2024-02-07 — — EP disclosed
WO-2022207537-A2 DIAGNOSTIC PROCESS FOR THE DETERMINATION OF PERIMENOPAUSE OR MENOPAUSE STATUS VIA ANALYSIS OF THE IgG GLYCOME GENOS D.O.O. (HR) 2022-10-06 — — WO disclosed
EP-2347003-B1 GALACTOSE ALPHA (1-3) GALACTOSE COMPOSITIONS JANSSEN BIOTECH INC (US) 2020-06-10 — — EP disclosed
EP-2347003-A1 GALACTOSE ALPHA (1-3) GALACTOSE COMPOSITIONS Centocor Ortho Biotech Inc. (US) 2011-07-27 — — EP disclosed
US-20100240871-A1 Galactose Alpha(1-3) Galactose Compositions RAJU T SHANTHA 2010-09-23 — — US disclosed
WO-2010051227-A1 GALACTOSE ALPHA (1-3) GALACTOSE COMPOSITIONS CENTOCOR ORTHO BIOTECH INC. (US) 2010-05-06 — — WO 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-20100240871-A1 Galactose Alpha(1-3) Galactose Compositions B3GAT3, ST3GAL3, B4GALT1 CA1 384/4885CA2 1639/4885CA9 772/4885

“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.

Send feedback