SCHEMBL5420286

SCHEMBL5420286

COC(=O)[C@H](CCCc1ccccc1)[C@H](O)C(=O)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
MMP8 P22894 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
CTSS P25774 5/20 0.43
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42

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
SCHEMBL5420291 1.00 FKBP1A (0.48) FKBP1AMEN1KMT2APOLBMMP8
SCHEMBL6279564 1.00 FKBP1A (0.48) FKBP1AMEN1KMT2APOLBMMP8
SCHEMBL5955017 0.89 FKBP1A (0.46) FKBP1AMEN1KMT2APOLBMMP8
SCHEMBL5418488 0.89 FKBP1A (0.46) FKBP1AMEN1KMT2APOLBMMP8
SCHEMBL5954939 0.89 FKBP1A (0.46) FKBP1AMEN1KMT2APOLBMMP8
SCHEMBL5954946 0.89 FKBP1A (0.46) FKBP1AMEN1KMT2APOLBMMP8
SCHEMBL5954943 0.89 FKBP1A (0.46) FKBP1AMEN1KMT2APOLBMMP8
SCHEMBL5955015 0.89 FKBP1A (0.46) FKBP1AMEN1KMT2APOLBMMP8
SCHEMBL5418489 0.89 FKBP1A (0.46) FKBP1AMEN1KMT2APOLBMMP8
SCHEMBL5955020 0.89 FKBP1A (0.46) FKBP1AMEN1KMT2APOLBMMP8

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 FKBP1A 2478/4885MEN1 4458/4885KMT2A 4602/4885
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE FKBP1A 2516/4885MEN1 4485/4885KMT2A 4623/4885
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE FKBP1A 2478/4885MEN1 4458/4885KMT2A 4602/4885

“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.