SCHEMBL2482719

SCHEMBL2482719

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

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.73
▸ LGALS8 O00214 1/20 0.59
▸ LGALS3 P17931 1/20 0.59
▸ LGALS4 P56470 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.53
▸ THRB P10828 1/20 0.53
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ B4GALT1 P15291 1/20 0.48
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CD69 Q07108 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL19614020 0.92 MAPK1 (0.70) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL25767297 0.89 MAPK1 (0.74) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL22021801 0.89 MAPK1 (0.74) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL19509484 0.89 MAPK1 (0.74) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL19871891 0.89 MAPK1 (0.74) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL23031873 0.89 MAPK1 (0.74) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL26249989 0.89 MAPK1 (0.74) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL16393106 0.88 MAPK1 (0.73) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL16392632 0.88 MAPK1 (0.73) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL10333760 0.87 MAPK1 (0.75) MAPK1LGALS8LGALS3LGALS4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687024-B1 CARBOHYDRATE ANTIGEN-NANOPARTICLE CONJUGATES AND USES THEREOF AS ANTIMETASTATIC AGENTS IN TREATING CANCER US GOV HEALTH & HUMAN SERV (US) 2011-10-19 — — EP disclosed
US-20070275007-A1 Carbohydrate Antigen-Nanoparticle Conjugates and Uses Thereof as Antimetastatic Agents in Treating Cancer THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN S (US) 2007-11-29 — — US disclosed
EP-1687024-A2 CARBOHYDRATE ANTIGEN-NANOPARTICLE CONJUGATES AND USES THEREOF AS ANTIMETASTATIC AGENTS IN TREATING CANCER THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-08-09 — — EP disclosed
WO-2005046722-A2 CARBOHYDRATE ANTIGEN-NANOPARTICLE CONJUGATES AND USES THEREOF AS ANTIMETASTATIC AGENTS IN TREATING CANCER THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-05-26 — — 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-20070275007-A1 Carbohydrate Antigen-Nanoparticle Conjugates and Uses Thereof as Antimetastatic Agents in Treating Cancer CA14, CA13, CA12 MAPK1 2554/4885LGALS8 36/4885LGALS3 13/4885

“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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