SCHEMBL5423271

SCHEMBL5423271

CCOC(=O)C(CC(=O)N1CCOCC1)C(=O)OCC

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
TSHR P16473 2/20 0.59
POLB P06746 2/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59
ALDH1A1 P00352 4/20 0.58
GAA P10253 1/20 0.57
RAB9A P51151 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
RECQL P46063 1/20 0.54
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
FKBP1A P62942 1/20 0.47
GLA P06280 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL8360737 0.94 LMNA (0.56) LMNATSHRPOLBCYP3A4CYP2C19
SCHEMBL23620677 0.92 LMNA (0.55) LMNATSHRPOLBCYP3A4CYP2C19
SCHEMBL15944487 0.78 CYP3A4 (0.69) LMNATSHRPOLBCYP3A4CYP2C19
SCHEMBL1246220 0.76 TSHR (0.96) LMNATSHRPOLBCYP3A4CYP2C19
SCHEMBL5423280 0.76 POLB (0.44) LMNATSHRPOLBCYP3A4CYP2C19
SCHEMBL11694406 0.76 RAB9A (0.58) LMNATSHRPOLBCYP3A4CYP2C19
SCHEMBL3707572 0.76 LMNA (0.73) LMNATSHRPOLBCYP3A4CYP2C19
SCHEMBL294992 0.74 POLB (0.55) LMNATSHRPOLBALDH1A1GAA
SCHEMBL8488471 0.74 L3MBTL1 (0.48) LMNATSHRPOLBALDH1A1GAA
SCHEMBL8488474 0.74 L3MBTL1 (0.48) LMNATSHRPOLBALDH1A1RAB9A

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 10 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
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 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
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 WO 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 LMNA 1701/4885TSHR 4285/4885POLB 1961/4885
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE LMNA 1707/4885TSHR 4359/4885POLB 2141/4885
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE LMNA 1701/4885TSHR 4285/4885POLB 1961/4885

“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.