SCHEMBL5954948

SCHEMBL5954948

O=C(O)[C@H](CC(=O)N1CCOCC1)CS(=O)(=O)CC1CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
CTSS P25774 15/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL5955256 1.00 L3MBTL1 (0.40) L3MBTL1CTSSMEN1KMT2AALDH1A1
SCHEMBL5415817 1.00 L3MBTL1 (0.40) L3MBTL1CTSSMEN1KMT2AALDH1A1
SCHEMBL5418141 0.81 POLB (0.40) L3MBTL1CTSSMEN1KMT2AALDH1A1
SCHEMBL5955895 0.81 POLB (0.40) L3MBTL1CTSSMEN1KMT2AALDH1A1
SCHEMBL5954873 0.81 POLB (0.40) L3MBTL1CTSSMEN1KMT2AALDH1A1
Benzene SCHEMBL5954954 0.77 MEN1 (0.47) L3MBTL1MEN1KMT2AALDH1A1HPGD
Cyclopropane SCHEMBL5955262 0.77 MEN1 (0.41) L3MBTL1CTSSMEN1KMT2AALDH1A1
SCHEMBL5421601 0.76 FKBP1A (0.51) CTSSMEN1KMT2AALDH1A1HPGD
SCHEMBL5955863 0.76 FKBP1A (0.51) CTSSMEN1KMT2AALDH1A1HPGD
SCHEMBL5955811 0.76 FKBP1A (0.51) CTSSMEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-27 US disclosed
US-7030116-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-18 US disclosed
EP-1515726-A1 MORPHOLINE AND TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-03-23 EP disclosed
WO-2004002491-A1 MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-01-08 WO disclosed
US-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACUETICALS INC. 2003-06-05 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 (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-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE L3MBTL1 4100/4885CTSS 1/4885MEN1 4458/4885
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE L3MBTL1 4100/4885CTSS 1/4885MEN1 4458/4885

“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.