SCHEMBL29633912

SCHEMBL29633912

C=CCOC(=O)C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.36
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 1/20 0.34
FABP5 Q01469 2/20 0.33
FABP7 O15540 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
EPHX2 P34913 1/20 0.32
CASP1 P29466 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL22444620 1.00 CASP3 (0.36) CASP3NPSR1KMT2AFABP5FABP7
SCHEMBL22454850 1.00 CASP3 (0.36) CASP3NPSR1KMT2AFABP5FABP7
SCHEMBL24633697 0.91 CASP3 (0.35) CASP3NPSR1KMT2AFABP5FABP7
SCHEMBL22444662 0.91 NPSR1 (0.34) CASP3NPSR1KMT2AFABP5FABP7
SCHEMBL22444661 0.91 NPSR1 (0.34) CASP3NPSR1KMT2AFABP5FABP7
SCHEMBL29633785 0.91 NPSR1 (0.34) CASP3NPSR1KMT2AFABP5FABP7
SCHEMBL22454832 0.91 NPSR1 (0.34) CASP3NPSR1KMT2AFABP5FABP7
SCHEMBL31135303 0.89 CASP3 (0.39) CASP3NPSR1KMT2AFABP5FABP7
SCHEMBL30606806 0.89 CASP3 (0.39) CASP3NPSR1KMT2AFABP5FABP7
SCHEMBL22454759 0.89 CASP3 (0.35) CASP3NPSR1KMT2AFABP5FABP7

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-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-05-12 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-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR CASP3 4077/4885NPSR1 2250/4885KMT2A 355/4885

“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.