SCHEMBL13319975

SCHEMBL13319975

CC(C)[C@H](NC(=O)CN)C(=O)OCCOCn1c(C(=O)O)cc2occc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.38
THRB P10828 2/20 0.38
MAPT P10636 3/20 0.36
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 5/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL1170918 1.00 TP53 (0.38) TP53THRBMAPTHTTSMN1; SMN2
SCHEMBL13319976 0.90 TP53 (0.51) TP53THRBMAPTHTTSMN1; SMN2
SCHEMBL12879901 0.90 TP53 (0.51) TP53THRBMAPTHTTSMN1; SMN2
SCHEMBL12864975 0.90 TP53 (0.51) TP53THRBMAPTHTTSMN1; SMN2
SCHEMBL12880191 0.89 TP53 (0.38) TP53THRBMAPTHTTSMN1; SMN2
SCHEMBL12864536 0.87 TP53 (0.36) TP53THRBMAPTHTTSMN1; SMN2
SCHEMBL12864537 0.85 TP53 (0.33) TP53THRBMAPTHTTSMN1; SMN2
SCHEMBL1170999 0.83 MAPT (0.39) TP53THRBMAPTHTTSMN1; SMN2
SCHEMBL13319973 0.83 MAPT (0.39) TP53THRBMAPTHTTSMN1; SMN2
SCHEMBL12903503 0.83 TP53 (0.36) TP53THRBMAPTHTTTSHR

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-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 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-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 TP53 2774/4885THRB 1558/4885MAPT 2275/4885

“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.