SCHEMBL5353575

SCHEMBL5353575

COc1ccc(CNC(=O)[C@H](C(=O)OC(C)(C)C)C(N)SCc2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 2/20 0.44
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
PKM P14618 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
EPHX1 P07099 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
ANPEP P15144 2/20 0.41
ERAP2 Q6P179 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 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
SCHEMBL5350565 0.94 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ANPC1L3MBTL1
SCHEMBL3026073 0.87 EPHX1 (0.46) L3MBTL1PPARGPPARAEPHX1ANPEP
SCHEMBL5361510 0.86 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ANPC1L3MBTL1
SCHEMBL3029294 0.85 EPHX1 (0.49) ALDH1A1L3MBTL1SMN1; SMN2PPARGPPARA
SCHEMBL5353966 0.84 CYSLTR1 (0.41) ALDH1A1MEN1KMT2APKMCARM1
SCHEMBL5350147 0.74 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL5354039 0.74 KMT2A (0.51) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL5344896 0.74 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL8932405 0.74 PPARG (0.52) ALDH1A1MEN1KMT2ANPC1L3MBTL1
SCHEMBL5364189 0.74 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ANPC1RAB9A

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 ALDH1A1 3065/4885MEN1 2633/4885KMT2A 1929/4885

“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.