SCHEMBL5418141

SCHEMBL5418141

CC(C)CS(=O)(=O)CC(CC(=O)N1CCOCC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 6/20 0.38
HPGD P15428 2/20 0.38
PKM P14618 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.37
FKBP1A P62942 2/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
GLA P06280 1/20 0.35

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
SCHEMBL5955895 1.00 POLB (0.40) POLBKMT2AMEN1L3MBTL1NPSR1
SCHEMBL5954873 1.00 POLB (0.40) POLBKMT2AMEN1L3MBTL1NPSR1
Benzene SCHEMBL5954954 0.82 MEN1 (0.47) POLBKMT2AMEN1L3MBTL1ALDH1A1
Cyclopropane SCHEMBL5955262 0.82 MEN1 (0.41) POLBKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL5954948 0.81 L3MBTL1 (0.40) POLBKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL5415817 0.81 L3MBTL1 (0.40) POLBKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL5955256 0.81 L3MBTL1 (0.40) POLBKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL4044696 0.81 MEN1 (0.44) POLBKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL4037754 0.81 MEN1 (0.44) POLBKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL5421601 0.78 FKBP1A (0.51) POLBKMT2AMEN1NPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US disclosed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US disclosed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US disclosed
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
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 (3 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 POLB 1961/4885KMT2A 4602/4885MEN1 4458/4885
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE POLB 2141/4885KMT2A 4623/4885MEN1 4485/4885
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE POLB 1961/4885KMT2A 4602/4885MEN1 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.