SCHEMBL2238229

SCHEMBL2238229

C=CCN1C(=O)[C@@H](NC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)C=CC(C)(C)C)COc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.53
XIAP P98170 12/20 0.46
MME P08473 3/20 0.44
ACE P12821 3/20 0.44
METAP2 P50579 1/20 0.41

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
SCHEMBL12345867 1.00 METAP1 (0.53) METAP1XIAPMMEACEMETAP2
SCHEMBL2238221 1.00 METAP1 (0.53) METAP1XIAPMMEACEMETAP2
SCHEMBL2233285 0.92 METAP1 (0.54) METAP1XIAPMMEACEMETAP2
SCHEMBL12345865 0.92 METAP1 (0.54) METAP1XIAPMMEACEMETAP2
SCHEMBL2233277 0.92 METAP1 (0.54) METAP1XIAPMMEACEMETAP2
SCHEMBL2238218 0.90 METAP1 (0.53) METAP1XIAPMMEACEMETAP2
SCHEMBL12345871 0.90 METAP1 (0.53) METAP1XIAPMMEACEMETAP2
SCHEMBL2238209 0.90 METAP1 (0.53) METAP1XIAPMMEACEMETAP2
SCHEMBL2233464 0.88 METAP1 (0.57) METAP1METAP2
SCHEMBL2233456 0.88 METAP1 (0.57) METAP1METAP2

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 2962/4885XIAP 2970/4885MME 544/4885

“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.