SCHEMBL5167546

SCHEMBL5167546

CCCCCC(=O)OC(NC(=O)OC(C)(C)C)[C@H](C)C=Cc1ccc2ccsc2c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.35
TOP2A P11388 2/20 0.35
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
LMNA P02545 2/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
FPR2 P25090 2/20 0.32

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
SCHEMBL5166650 0.81 CTSK (0.43) CTSKLMNAHRH2HRH1
SCHEMBL5168987 0.80 CTSK (0.36) CTSKHRH2HRH1
SCHEMBL5168990 0.73 CTSK (0.34) CTSKHRH2HRH1
SCHEMBL5166030 0.73 LMNA (0.48) CTSKLMNA
SCHEMBL5168961 0.70 CTSK (0.52) CTSK
SCHEMBL5167556 0.69 MAPT (0.33) CTSKLMNAHRH2HRH1
SCHEMBL5165596 0.68 MAPT (0.47) CTSKLMNA
SCHEMBL5166302 0.67 CTSK (0.43) CTSKLMNA
SCHEMBL10926694 0.65 CTSS (0.41) CTSK
SCHEMBL5167202 0.65 MAPT (0.46) CTSKLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 US disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 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 (2 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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A CTSK 4419/4885TOP2A 4151/4885NFKB1 448/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A CTSK 4419/4885TOP2A 4151/4885NFKB1 448/4885

“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.