SCHEMBL16126909

SCHEMBL16126909

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

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LGALS8 O00214 7/20 0.52
▸ TNF P01375 1/20 0.47
▸ LGALS3 P17931 6/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ SLC2A1 P11166 1/20 0.46
▸ GBA1 P04062 1/20 0.41

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
SCHEMBL14747637 0.92 LGALS8 (0.47) LGALS8TNFLGALS3MAPK1GBA1
SCHEMBL14747649 0.92 TNF (0.51) LGALS8TNFLGALS3MAPK1SLC2A1
SCHEMBL16414481 0.92 TNF (0.51) LGALS8TNFLGALS3MAPK1SLC2A1
SCHEMBL13885908 0.91 TNF (0.56) LGALS8TNFLGALS3MAPK1SLC2A1
SCHEMBL15499729 0.91 TNF (0.56) LGALS8TNFLGALS3MAPK1SLC2A1
SCHEMBL16421742 0.91 TNF (0.56) LGALS8TNFLGALS3MAPK1SLC2A1
SCHEMBL17304977 0.91 TNF (0.56) LGALS8TNFLGALS3MAPK1SLC2A1
SCHEMBL16234422 0.88 TNF (0.46) LGALS8TNFLGALS3MAPK1SLC2A1
SCHEMBL25415041 0.87 TNF (0.58) LGALS8TNFLGALS3MAPK1SLC2A1
SCHEMBL10775003 0.87 TNF (0.58) LGALS8TNFLGALS3MAPK1SLC2A1

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
US-20160045611-A1 SUGAR-LINKER-DRUG CONJUGATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-18 — — US disclosed
US-20160038615-A1 SACCHARIDE CONJUGATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-11 — — US disclosed
WO-2014152718-A1 SACCHARIDE CONJUGATES ARIZONA BOARD OF REGENTS, FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2014-09-25 — — 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 (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-20160045611-A1 SUGAR-LINKER-DRUG CONJUGATES FUT5, FUT6, B3GNT2 LGALS8 675/4885TNF 2321/4885LGALS3 790/4885
US-20160038615-A1 SACCHARIDE CONJUGATES BLM, DCLRE1A, MAN1B1 LGALS8 132/4885TNF 4663/4885LGALS3 154/4885

“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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