SCHEMBL7591374

SCHEMBL7591374

CO[C@H]1[C@H](O)[C@@H](NC(C)=O)[C@@H](O)O[C@@H]1CO

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
LGALS3 P17931 6/20 0.52
ALDH1A1 P00352 1/20 0.45
THRB P10828 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
LGALS8 O00214 2/20 0.44
LGALS4 P56470 1/20 0.44
LGALS1 P09382 1/20 0.43
LGALS7; LGALS7B P47929 1/20 0.43
LGALS9 O00182 1/20 0.41
CD69 Q07108 1/20 0.41
PYGB P11216 1/20 0.41
NOD2 Q9HC29 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
SCHEMBL13491439 1.00 MAPK1 (0.56) MAPK1LGALS3ALDH1A1THRBKDM4E
SCHEMBL13308281 1.00 MAPK1 (0.56) MAPK1LGALS3ALDH1A1THRBKDM4E
SCHEMBL25043094 1.00 MAPK1 (0.56) MAPK1LGALS3ALDH1A1THRBKDM4E
SCHEMBL18080805 0.91 LGALS3 (0.58) MAPK1LGALS3ALDH1A1THRBLGALS8
SCHEMBL7008766 0.88 MAPK1 (0.67) MAPK1LGALS3ALDH1A1THRBKDM4E
SCHEMBL13710843 0.88 MAPK1 (0.67) MAPK1LGALS3ALDH1A1THRBKDM4E
SCHEMBL9574469 0.88 MAPK1 (0.67) MAPK1LGALS3ALDH1A1THRBKDM4E
SCHEMBL27098396 0.88 MAPK1 (0.67) MAPK1LGALS3ALDH1A1THRBKDM4E
SCHEMBL9574473 0.88 MAPK1 (0.67) MAPK1LGALS3ALDH1A1THRBKDM4E
SCHEMBL11285039 0.88 MAPK1 (0.67) MAPK1LGALS3ALDH1A1THRBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020137791-A1 NEURAMINIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR MEDICAL USE SANKYO COMPANY, LIMITED (JP) 2002-09-26 US disclosed
US-6451766-B1 SIALIDASE INHIBITORS; INFLUENZA VIRICIDES SANKYO COMPANY, LIMITED (JP) 2002-09-17 US disclosed
US-6340702-B1 SIALIDASE INHIBITORS; ANTIVIRAL COMPOUNDS SANKYO COMPANY, LIMITED (JP) 2002-01-22 US disclosed
EP-0823428-B1 Neuraminic acid derivatives, their preparation and their medical use SANKYO CO (JP) 2002-01-02 EP disclosed
EP-0823428-A2 Neuraminic acid derivatives, their preparation and their medical use SANKYO COMPANY LIMITED (JP) 1998-02-11 EP 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-20020137791-A1 NEURAMINIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR MEDICAL USE NEU1, NEU3, NEU2 MAPK1 2698/4885LGALS3 1049/4885ALDH1A1 660/4885

“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.