SCHEMBL5351867

SCHEMBL5351867

CN1CCC(NC(=S)[C@@H](CCC2CCCCC2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CTSK P43235 5/20 0.44
CTSS P25774 2/20 0.44
GAA P10253 1/20 0.44
EPHX1 P07099 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
DRD2 P14416 1/20 0.38
SRC P12931 1/20 0.38
CACNA1B Q00975 2/20 0.38
SCN9A Q15858 1/20 0.38
HRH2 P25021 2/20 0.38
HRH1 P35367 2/20 0.38
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL5351302 0.85 CKS1B (0.43) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL5113701 0.84 BCHE (0.51) GAATSHR
SCHEMBL5116779 0.84 BCHE (0.51) GAATSHR
SCHEMBL5110138 0.84 BCHE (0.51) GAATSHR
SCHEMBL5116776 0.84 BCHE (0.51) GAATSHR
SCHEMBL26436610 0.83 HDAC4 (0.55) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL5116831 0.83 CHRM2 (0.46) HDAC4HDAC1HDAC6CACNA1BTSHR
SCHEMBL5118683 0.83 BCHE (0.52) TSHR
SCHEMBL5118772 0.82 SIGMAR1 (0.45)
SCHEMBL5123707 0.82 CACNA1B (0.50) CACNA1BHRH2HRH1

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 HDAC4 2478/4885HDAC1 950/4885HDAC6 2784/4885

“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.