SCHEMBL5351828

SCHEMBL5351828

CC(C)(C)OC(=O)N[C@](C)(CC1CCCCC1)C(=S)NCc1ccc(Oc2ccccc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
CYP3A4 P08684 1/20 0.38
GRN P28799 3/20 0.37
SORT1 Q99523 3/20 0.37
GAA P10253 1/20 0.37
ACACB O00763 5/20 0.37
GALR3 O60755 1/20 0.36
RAB9A P51151 1/20 0.36
PPIB P23284 1/20 0.36
OPRM1 P35372 3/20 0.35
OPRK1 P41145 2/20 0.35
OPRD1 P41143 1/20 0.35
NAMPT P43490 1/20 0.35
ACACA Q13085 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
SCHEMBL5353075 0.86 KMT2A (0.48) KMT2AMEN1GAAGALR3RAB9A
SCHEMBL5349105 0.83 HTR2C (0.46) KMT2ARAB9A
SCHEMBL5351816 0.81 GRN (0.43) CYP3A4GRNSORT1ACACBACACA
SCHEMBL5351812 0.78 CACNA1B (0.50) CYP3A4GRNSORT1
SCHEMBL5351822 0.78 ACACB (0.41) KMT2ACYP3A4GRNSORT1ACACB
SCHEMBL5355135 0.74 SMN1; SMN2 (0.42) KMT2AMEN1CYP3A4GAARAB9A
SCHEMBL5353066 0.72 KMT2A (0.44) KMT2AMEN1GRNSORT1GAA
SCHEMBL5348579 0.70 CACNA1B (0.52) KMT2AMEN1GRNSORT1GAA
SCHEMBL5351826 0.69 CACNA1B (0.43) KMT2ACYP3A4GRNSORT1ACACB
SCHEMBL5351314 0.69 GPR119 (0.46) KMT2AGAAOPRM1OPRK1OPRD1

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 2633/4885HCRTR1 875/4885

“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.