SCHEMBL5355135

SCHEMBL5355135

CC(C)(C)OC(=O)N[C@](C)(CC1CCCCC1)C(=S)NCc1ccc(N2CCOCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP2C19 P33261 2/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR119 Q8TDV5 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TGFBR1 P36897 1/20 0.38
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
RAB9A P51151 1/20 0.37
ERCC1 P07992 1/20 0.37
ERCC4 Q92889 1/20 0.37
GAA P10253 2/20 0.37

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
SCHEMBL5355126 0.80 MAPK14 (0.42) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL5349105 0.79 HTR2C (0.46) SMN1; SMN2KMT2AKDM4ERAB9A
SCHEMBL13007739 0.78 SMN1; SMN2 (0.53) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL12298707 0.77 SMN1; SMN2 (0.50) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL5351314 0.77 GPR119 (0.46) SMN1; SMN2KMT2AGPR119GAA
SCHEMBL5355130 0.76 BRD4 (0.40) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL5355122 0.76 CACNA1B (0.45) SMN1; SMN2LMNAMEN1KMT2ACYP2C19
SCHEMBL5351828 0.74 KMT2A (0.40) MEN1KMT2ACYP3A4RAB9AGAA
SCHEMBL21396291 0.72 SMN1; SMN2 (0.54) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL5351874 0.72 GAA (0.45) CTSKGAA

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 SMN1; SMN2 297/4885MAPT 1598/4885LMNA 2257/4885

“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.