SCHEMBL5365050

SCHEMBL5365050

CC(C1CCCCC1)[C@H](NC(=O)OC(C)(C)C)C(=S)N[C@H](C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAPT P10636 4/20 0.37
GAA P10253 2/20 0.37
EPHX1 P07099 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 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
SCHEMBL5348422 1.00 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AL3MBTL1PPARG
SCHEMBL5363825 1.00 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AL3MBTL1PPARG
SCHEMBL5365046 0.82 PPARG (0.44) ALDH1A1MEN1KMT2AL3MBTL1PPARG
SCHEMBL5363821 0.82 PPARG (0.44) ALDH1A1MEN1KMT2AL3MBTL1PPARG
SCHEMBL5348417 0.82 PPARG (0.44) ALDH1A1MEN1KMT2AL3MBTL1PPARG
SCHEMBL1628549 0.80 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APPARGPPARA
SCHEMBL1231134 0.80 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APPARGPPARA
SCHEMBL1231133 0.80 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APPARGPPARA
SCHEMBL5348847 0.80 CACNA1B (0.44) ALDH1A1L3MBTL1PPARGPPARAMAPT
SCHEMBL5363836 0.77 L3MBTL1 (0.43) ALDH1A1MEN1KMT2AL3MBTL1PPARG

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.