SCHEMBL2236971

SCHEMBL2236971

CO[C@@H](C(=O)N[C@H]1COc2ccccc2N(C(C)C)C1=O)[C@H](O)[C@@H](O)[C@H](O)C=CC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 5/20 0.55
SCN9A Q15858 2/20 0.48
METAP2 P50579 1/20 0.43
XIAP P98170 10/20 0.42
MME P08473 3/20 0.38
ACE P12821 3/20 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
SCHEMBL12345876 1.00 METAP1 (0.55) METAP1SCN9AMETAP2XIAPMME
SCHEMBL2236961 1.00 METAP1 (0.55) METAP1SCN9AMETAP2XIAPMME
SCHEMBL2233451 0.90 METAP1 (0.57) METAP1METAP2
SCHEMBL12345833 0.90 METAP1 (0.57) METAP1METAP2
SCHEMBL2233456 0.90 METAP1 (0.57) METAP1METAP2
SCHEMBL2233464 0.90 METAP1 (0.57) METAP1METAP2
SCHEMBL12345865 0.87 METAP1 (0.54) METAP1METAP2XIAPMMEACE
SCHEMBL2233285 0.87 METAP1 (0.54) METAP1METAP2XIAPMMEACE
SCHEMBL2233277 0.87 METAP1 (0.54) METAP1METAP2XIAPMMEACE
SCHEMBL12345867 0.86 METAP1 (0.53) METAP1METAP2XIAPMMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994161-B2 Derivatives of 2-alkoxy-3,4,5-trihydroxy-alkyl amides, preparation and use thereof, and compositions containing the same SANOFI-AVENTIS (FR) 2011-08-09 US claimed
US-20090075971-A1 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI-AVENTIS (FR) 2009-03-19 US claimed
US-7994161-B2 Derivatives of 2-alkoxy-3,4,5-trihydroxy-alkyl amides, preparation and use thereof, and compositions containing the same SANOFI-AVENTIS (FR) 2011-08-09 US disclosed
US-20090075971-A1 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI-AVENTIS (FR) 2009-03-19 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-20090075971-A1 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME CYP4B1, AADAC, ALKBH3 METAP1 2962/4885SCN9A 3603/4885METAP2 1628/4885

“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.