SCHEMBL5355126

SCHEMBL5355126

CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=S)NCc1ccc(N2CCOCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
CTSK P43235 3/20 0.41
CTSS P25774 2/20 0.41
CTSL P07711 1/20 0.41
CACNA1B Q00975 4/20 0.40
CYP2C19 P33261 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 2/20 0.38
REN P00797 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
SCHEMBL5124536 0.85 CTSK (0.47) ALDH1A1LMNACTSKCTSSCACNA1B
SCHEMBL5350738 0.84 CACNA1B (0.44) MAPK14ALDH1A1LMNACTSKCTSS
SCHEMBL5355130 0.84 BRD4 (0.40) ALDH1A1LMNACACNA1BCYP2C19SMN1; SMN2
SCHEMBL5355122 0.82 CACNA1B (0.45) ALDH1A1LMNACTSKCTSSCTSL
SCHEMBL4846824 0.81 CTSK (0.46) ALDH1A1LMNACTSKCTSSCACNA1B
SCHEMBL5113513 0.80 HRH3 (0.45) ALDH1A1LMNASMN1; SMN2KMT2AMAPT
SCHEMBL5355135 0.80 SMN1; SMN2 (0.42) ALDH1A1LMNACTSKCTSSCTSL
SCHEMBL5124003 0.80 CTSK (0.45) MAPK14CTSKCTSSCACNA1BREN
SCHEMBL5356917 0.79 MAPK14 (0.40) MAPK14ALDH1A1CTSKCTSSCTSL
SCHEMBL5349089 0.79 PSMB1 (0.51) CTSKCACNA1B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP claimed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US claimed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP claimed
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP disclosed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US disclosed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP 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 MAPK14 1083/4885ALDH1A1 3065/4885LMNA 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.