SCHEMBL25839524

SCHEMBL25839524

CCCC(=O)NC1[C@H](NO)OC(CO)[C@@H](O)[C@@H]1OC(=O)C(C)c1ccc(CC(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 1/20 0.42
▸ PTGS2 P35354 6/20 0.38
▸ CHRM1 P11229 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PTGS1 P23219 3/20 0.37
▸ CXCR1 P25024 3/20 0.37
▸ CXCR2 P25025 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ AKR1C3 P42330 2/20 0.37
▸ ALB P02768 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ RARB P10826 1/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ NR1I3 Q14994 1/20 0.37
▸ SLC22A6 Q4U2R8 1/20 0.37
▸ CXCL8 P10145 1/20 0.37

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
SCHEMBL23104795 0.91 MAPK1 (0.40) PYGBPTGS2CHRM1PDE4APTGS1
SCHEMBL21058392 0.91 MAPK1 (0.40) PYGBPTGS2CHRM1PDE4APTGS1
SCHEMBL25835021 0.91 MAPK1 (0.40) PYGBPTGS2CHRM1PDE4APTGS1
SCHEMBL21137981 0.90 PYGB (0.38) PYGBPTGS2CHRM1PDE4APTGS1
SCHEMBL25835269 0.90 PYGB (0.38) PYGBPTGS2CHRM1PDE4APTGS1
SCHEMBL21058345 0.84 SSTR3 (0.45) —
SCHEMBL25959074 0.81 PTGS2 (0.39) PTGS2CHRM1PDE4APTGS1CXCR1
SCHEMBL25957583 0.78 PTGS2 (0.37) PTGS2CHRM1PDE4APTGS1CXCR1
SCHEMBL21058347 0.77 PTGS2 (0.43) PTGS2CHRM1PDE4APTGS1CXCR1
SCHEMBL21138772 0.76 PTGS2 (0.42) PTGS2CHRM1PDE4APTGS1CXCR1

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-20230227488-A1 GLUCOSAMINE DERIVATIVES AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2023-07-20 — — 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-20230227488-A1 GLUCOSAMINE DERIVATIVES AND PHARMACEUTICAL USES THEREOF OGT, UGGT1, GLA PYGB 601/4885PTGS2 702/4885CHRM1 2388/4885

“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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