SCHEMBL5353068

SCHEMBL5353068

CC(C1CCCCC1)[C@@H](NC(=O)OC(C)(C)C)C(=S)Nc1ccc(Oc2ccccc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
KMT2A Q03164 6/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 2/20 0.41
GALR3 O60755 1/20 0.41
LTA4H P09960 1/20 0.40
HTR2C P28335 1/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 2/20 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
MAPT P10636 2/20 0.39
GRN P28799 2/20 0.39
SORT1 Q99523 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39
GPR65 Q8IYL9 1/20 0.39

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
SCHEMBL5351822 0.86 ACACB (0.41) KMT2AGRNSORT1
SCHEMBL5353066 0.83 KMT2A (0.44) PKMKMT2ARAB9ANPC1GALR3
SCHEMBL5353075 0.76 KMT2A (0.48) PKMKMT2ARAB9ANPC1GALR3
SCHEMBL5353064 0.75 METAP2 (0.44) PKMKMT2ARAB9ANPC1LTA4H
SCHEMBL5351816 0.72 GRN (0.43) GRNSORT1
SCHEMBL5349093 0.71 HTR2C (0.45) HTR2C
SCHEMBL5351304 0.71 GPR119 (0.44) KMT2AGAAMAPTNPSR1
SCHEMBL13832613 0.70 RAB9A (0.46) PKMKMT2ARAB9ANPC1MAPK1
SCHEMBL22143951 0.69 CTSK (0.45) KMT2AGAA
SCHEMBL12529396 0.68 KCNH2 (0.56) KMT2ARAB9ANPC1MAPK1GALR3

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 PKM 3859/4885KMT2A 1929/4885RAB9A 2425/4885

“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.