SCHEMBL5354039

SCHEMBL5354039

COc1ccc(CNC(=O)[C@@H](C(=O)OC(C)(C)C)C(N)NC(=O)C2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CACNA1B Q00975 1/20 0.49
ALDH1A1 P00352 7/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 1/20 0.47
CPB2 Q96IY4 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL5348809 0.83 SMN1; SMN2 (0.45) KMT2AMEN1CACNA1BALDH1A1LMNA
SCHEMBL5364189 0.80 ALDH1A1 (0.49) KMT2AMEN1CACNA1BALDH1A1LMNA
SCHEMBL5350928 0.79 ALDH1A1 (0.48) KMT2AMEN1CACNA1BALDH1A1LMNA
SCHEMBL5355900 0.79 NPC1 (0.50) KMT2AMEN1CACNA1BALDH1A1SMN1; SMN2
SCHEMBL5344896 0.79 ALDH1A1 (0.48) KMT2AMEN1CACNA1BALDH1A1LMNA
SCHEMBL5354032 0.79 ALDH1A1 (0.61) KMT2AMEN1CACNA1BALDH1A1LMNA
SCHEMBL5350147 0.79 ALDH1A1 (0.48) KMT2AMEN1CACNA1BALDH1A1LMNA
SCHEMBL5523975 0.76 ALDH1A1 (0.75) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL5354048 0.76 ALDH1A1 (0.50) KMT2AMEN1CACNA1BALDH1A1LMNA
SCHEMBL5353575 0.74 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 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-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A KMT2A 1929/4885MEN1 2633/4885CACNA1B 1/4885

“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.