SCHEMBL13491610

SCHEMBL13491610

CO[C@H]1[C@H](OCc2ccccc2)[C@H](NC(C)=O)C(O)O[C@@H]1CO

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.48
▸ LGALS3 P17931 4/20 0.46
▸ LGALS8 O00214 1/20 0.45
▸ HRAS P01112 1/20 0.45
▸ LGALS7; LGALS7B P47929 2/20 0.44
▸ LGALS1 P09382 1/20 0.44
▸ LGALS9 O00182 1/20 0.44
▸ POLB P06746 1/20 0.42
▸ TACR2 P21452 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MDM2 Q00987 1/20 0.41
▸ HK1 P19367 1/20 0.41
▸ HK2 P52789 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
SCHEMBL7774709 0.95 MAPK1 (0.50) MAPK1LGALS3LGALS8HRASLGALS7; LGALS7B
SCHEMBL31134199 0.90 MAPK1 (0.58) MAPK1LGALS3LGALS8HRASPOLB
SCHEMBL8822997 0.90 MAPK1 (0.58) MAPK1LGALS3LGALS8HRASPOLB
SCHEMBL1149280 0.87 HRAS (0.47) MAPK1LGALS3LGALS8HRASPOLB
SCHEMBL11170170 0.85 MAPK1 (0.65) MAPK1LGALS3HRASPOLBTACR2
SCHEMBL15516519 0.84 TP53 (0.55) TACR2TP53MDM2
SCHEMBL12128062 0.84 TACR2 (0.45) LGALS3LGALS8HRASLGALS7; LGALS7BLGALS1
SCHEMBL12127996 0.84 TACR2 (0.45) LGALS3LGALS8HRASLGALS7; LGALS7BLGALS1
SCHEMBL9472134 0.84 MAPK1 (0.54) MAPK1LGALS3LGALS8HRASTACR2
SCHEMBL25913957 0.83 TP53 (0.47) MAPK1LGALS3LGALS7; LGALS7BLGALS1LGALS9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455659-B2 Method for manufacturing neuraminic acid derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-04 — — US disclosed
US-20100035947-A1 METHOD FOR MANUFACTURING NEURAMINIC ACID DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-02-11 — — 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 (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-20100035947-A1 METHOD FOR MANUFACTURING NEURAMINIC ACID DERIVATIVES NEFM, NCDN, NTRK1 MAPK1 2940/4885LGALS3 3440/4885LGALS8 1651/4885

“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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