SCHEMBL4991663

SCHEMBL4991663

CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](O)[C@@H](NC(C)=O)[C@@H](O)[C@@H]1O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.50
▸ TLR4 O00206 2/20 0.44
▸ DGKA P23743 1/20 0.41
▸ LPAR1 Q92633 2/20 0.39
▸ LPAR3 Q9UBY5 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ AKT1 P31749 2/20 0.39
▸ PAM P19021 2/20 0.38
▸ NLRP3 Q96P20 1/20 0.38

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
SCHEMBL4994061 1.00 MAPK1 (0.50) MAPK1TLR4DGKALPAR1LPAR3
SCHEMBL14010258 1.00 MAPK1 (0.50) MAPK1TLR4DGKALPAR1LPAR3
SCHEMBL4991659 1.00 MAPK1 (0.50) MAPK1TLR4DGKALPAR1LPAR3
SCHEMBL14010283 1.00 MAPK1 (0.50) MAPK1TLR4DGKALPAR1LPAR3
SCHEMBL4994069 1.00 MAPK1 (0.50) MAPK1TLR4DGKALPAR1LPAR3
SCHEMBL21137910 0.89 TLR4 (0.44) MAPK1TLR4DGKA
SCHEMBL14010294 0.85 MAPK1 (0.72) MAPK1TLR4ALDH1A1THRBAKT1
SCHEMBL4996451 0.85 MAPK1 (0.72) MAPK1TLR4ALDH1A1THRBAKT1
SCHEMBL17318241 0.84 TLR4 (0.51) TLR4DGKALPAR1LPAR3AKT1
SCHEMBL18169507 0.84 MAPK1 (0.48) MAPK1TLR4DGKAALDH1A1THRB

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
EP-1553101-B1 N-ACETYLGLUCOSAMINE DERIVATIVES AND USE THEREOF KAO CORP (JP) 2016-11-30 — — EP disclosed
US-20080293673-A1 N-ACETYGLUCOSAMINE DERIVATIVES AND USE THEREOF KAO CORPORATION 2008-11-27 — — US disclosed
US-7393937-B2 N-acetylglucosamine derivatives and use thereof KAO CORPORATION (JP) 2008-07-01 — — US disclosed
US-20060020127-A1 N-acetylglucosamine derivatives and use thereof KANEBO COSMETICS INC. (JP) 2006-01-26 — — US disclosed
EP-1553101-A1 N-ACETYLGLUCOSAMINE DERIVATIVES AND USE THEREOF Kanebo Cosmetics Inc. (JP) 2005-07-13 — — 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 (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-20060020127-A1 N-acetylglucosamine derivatives and use thereof FUT6, B3GNT2, FUT5 MAPK1 1512/4885TLR4 891/4885DGKA 1922/4885
US-20080293673-A1 N-ACETYGLUCOSAMINE DERIVATIVES AND USE THEREOF B3GNT2, FUT6, FUT5 MAPK1 1506/4885TLR4 1032/4885DGKA 1960/4885

“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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