SCHEMBL5353075

SCHEMBL5353075

CC(C)(C)OC(=O)N[C@](C)(CC1CCCCC1)C(=S)Nc1ccc(Oc2ccccc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MEN1 O00255 2/20 0.48
GAA P10253 1/20 0.44
RAB9A P51151 2/20 0.42
GALR3 O60755 1/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.41
LTA4H P09960 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
GFER P55789 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
GPR65 Q8IYL9 1/20 0.39
NPY5R Q15761 1/20 0.38

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
SCHEMBL5351828 0.86 KMT2A (0.40) KMT2AMEN1GAARAB9AGALR3
SCHEMBL5353066 0.80 KMT2A (0.44) KMT2AMEN1GAARAB9AGALR3
SCHEMBL5353068 0.76 PKM (0.43) KMT2AMEN1GAARAB9AGALR3
SCHEMBL5353064 0.75 METAP2 (0.44) KMT2AMEN1GAARAB9ANPC1
SCHEMBL5349105 0.72 HTR2C (0.46) KMT2ARAB9ANPC1PKMLTA4H
SCHEMBL5351816 0.71 GRN (0.43)
SCHEMBL5351314 0.70 GPR119 (0.46) KMT2AGAASMN1; SMN2
SCHEMBL3612229 0.69 CTSS (0.48) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL3612235 0.69 CTSS (0.48) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL31129273 0.68 SMN1; SMN2 (0.65) KMT2AMEN1GAARAB9ANPC1

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 2633/4885GAA 3754/4885

“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.