SCHEMBL5160461

SCHEMBL5160461

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

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PYGB P11216 6/20 0.66
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
GAA P10253 1/20 0.49
HK2 P52789 5/20 0.48
HK1 P19367 4/20 0.48
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL29142537 1.00 PYGB (0.66) PYGBKDM4ELMNACYP2D6CYP2C19
SCHEMBL14620999 1.00 PYGB (0.66) PYGBKDM4ELMNACYP2D6CYP2C19
SCHEMBL5160455 1.00 PYGB (0.66) PYGBKDM4ELMNACYP2D6CYP2C19
SCHEMBL15966251 1.00 PYGB (0.66) PYGBKDM4ELMNACYP2D6CYP2C19
SCHEMBL14653772 1.00 PYGB (0.66) PYGBKDM4ELMNACYP2D6CYP2C19
SCHEMBL15966275 1.00 PYGB (0.66) PYGBKDM4ELMNACYP2D6CYP2C19
SCHEMBL14520986 1.00 PYGB (0.66) PYGBKDM4ELMNACYP2D6CYP2C19
SCHEMBL15965643 1.00 PYGB (0.66) PYGBKDM4ELMNACYP2D6CYP2C19
SCHEMBL5158214 1.00 PYGB (0.66) PYGBKDM4ELMNACYP2D6CYP2C19
SCHEMBL22166026 1.00 PYGB (0.66) PYGBKDM4ELMNACYP2D6CYP2C19

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-1320373-B1 TREATMENT OF ARTHRITIS AND COMPOSITIONS THEREFORE ANASTASSIADES TASSOS P (CA) 2007-01-31 EP disclosed
EP-1320373-A2 TREATMENT OF ARTHRITIS AND COMPOSITIONS THEREFORE Anastassiades, Tassos, P. (CA) 2003-06-25 EP disclosed
US-6479469-B2 N-ACYLATED-2-GLUCOSAMINE DERIVATIVES FOR TREATING OSTEOARTHRITIS/INFLAMMATORY ARTHRITIS, AND ENHANCING CARTILAGE FORMULATION, CHONDROCYTE CELL PROLIFERATION AND GLYCOSAMINOGLYCAN PRODUCTION ANACOTI LTD. (CA) 2002-11-12 US disclosed
US-20020045597-A1 Treatment of arthritis and compositions therefore ANACOTI LTD. (CA) 2002-04-18 US disclosed
WO-2002017890-A2 TREATMENT OF ARTHRITIS AND COMPOSITIONS THEREFORE CONTAINING A N-ACYLATED-2-GLUCOSAMINE DERIVATIVE ANASTASSIADES TASSOS P (CA) 2002-03-07 WO 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-20020045597-A1 Treatment of arthritis and compositions therefore COL2A1, B3GNT2, CSGALNACT1 PYGB 1521/4885KDM4E 2825/4885LMNA 1492/4885

“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.