SCHEMBL5168987

SCHEMBL5168987

CCCCCC(=O)OC(NC(=O)OC(C)(C)C)[C@H](C)CCc1ccc2ccsc2c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.36
ALOX15 P16050 1/20 0.35
PTPRB P23467 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
TLR2 O60603 1/20 0.32
CA2 P00918 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
SCHEMBL5167546 0.80 CTSK (0.35) CTSKHRH2HRH1
SCHEMBL5168961 0.80 CTSK (0.52) CTSK
SCHEMBL5165596 0.72 MAPT (0.47) CTSKCA2
SCHEMBL5168990 0.72 CTSK (0.34) CTSKPTPRBHRH2HRH1TLR2
SCHEMBL5166650 0.69 CTSK (0.43) CTSKHRH2HRH1
SCHEMBL5167556 0.68 MAPT (0.33) CTSKHRH2HRH1
SCHEMBL3962067 0.68 L3MBTL1 (0.46) CA2
SCHEMBL5166030 0.67 LMNA (0.48) CTSKCA2
SCHEMBL5166302 0.65 CTSK (0.43) CTSK
SCHEMBL5167202 0.65 MAPT (0.46) CTSKCA2

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 4419/4885ALOX15 1015/4885PTPRB 3337/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A CTSK 4419/4885ALOX15 1015/4885PTPRB 3337/4885

“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.