SCHEMBL5423280

SCHEMBL5423280

CCC(C)OC(=O)C(CC(=O)N1CCOCC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
RAB9A P51151 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
FKBP1A P62942 3/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RECQL P46063 1/20 0.40
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 2/20 0.38
PKM P14618 1/20 0.38

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 0.82 LMNA (0.56) POLBTSHRLMNAALDH1A1L3MBTL1
SCHEMBL5423271 0.76 LMNA (0.59) POLBTSHRLMNAALDH1A1L3MBTL1
SCHEMBL23620677 0.72 LMNA (0.55) POLBTSHRLMNAALDH1A1L3MBTL1
SCHEMBL294992 0.71 POLB (0.55) POLBTSHRLMNAALDH1A1L3MBTL1
SCHEMBL27409350 0.71 MEN1 (0.47) POLBTSHRLMNAALDH1A1L3MBTL1
SCHEMBL334795 0.71 MAPT (0.44) TSHRALDH1A1MEN1KMT2A
SCHEMBL5426472 0.71 L3MBTL1 (0.46) POLBTSHRLMNAALDH1A1L3MBTL1
SCHEMBL5421534 0.71 L3MBTL1 (0.46) POLBTSHRLMNAALDH1A1L3MBTL1
SCHEMBL8488471 0.71 L3MBTL1 (0.48) POLBTSHRLMNAALDH1A1L3MBTL1
SCHEMBL8488474 0.71 L3MBTL1 (0.48) POLBTSHRLMNAALDH1A1L3MBTL1

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 8 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-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 POLB 1961/4885TSHR 4285/4885LMNA 1701/4885
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE POLB 2141/4885TSHR 4359/4885LMNA 1707/4885
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE POLB 1961/4885TSHR 4285/4885LMNA 1701/4885

“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.