SCHEMBL23104642

SCHEMBL23104642

CCCC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)[C@@H](N)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 2/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ NOD2 Q9HC29 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TLR4 O00206 7/20 0.35
▸ LY96 Q9Y6Y9 6/20 0.35
▸ GAA P10253 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ AR P10275 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ PTGS1 P23219 1/20 0.34

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
SCHEMBL25957853 0.88 MAPK1 (0.47) PYGBMAPK1NOD2ALDH1A1THRB
SCHEMBL28889012 0.88 MAPK1 (0.47) PYGBMAPK1NOD2ALDH1A1THRB
SCHEMBL21137905 0.88 MAPK1 (0.47) PYGBMAPK1NOD2ALDH1A1THRB
SCHEMBL29777467 0.88 MAPK1 (0.47) PYGBMAPK1NOD2ALDH1A1THRB
Hydrochloric Acid SCHEMBL21058344 0.87 MAPK1 (0.46) PYGBMAPK1NOD2ALDH1A1THRB
Hydrochloric Acid SCHEMBL30033750 0.87 MAPK1 (0.46) PYGBMAPK1NOD2ALDH1A1THRB
SCHEMBL21138210 0.83 PYGB (0.52) PYGBMAPK1KDM4ELMNACYP2D6
SCHEMBL21137920 0.78 PYGB (0.44) PYGBMAPK1ALDH1A1THRBTLR4
SCHEMBL25835418 0.78 PYGB (0.44) PYGBMAPK1ALDH1A1THRBTLR4
SCHEMBL6894939 0.78 MAPK1 (0.56) PYGBMAPK1NOD2ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210079033-A1 GLUCOSAMINE DERIVATIVES FOR THE PREVENTION OR TREATMENT OF JOINT DISORDERS Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2021-03-18 — — 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-20210079033-A1 GLUCOSAMINE DERIVATIVES FOR THE PREVENTION OR TREATMENT OF JOINT DISORDERS OGT, UGGT1, GLA PYGB 760/4885MAPK1 887/4885NOD2 691/4885

“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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