SCHEMBL5954922

SCHEMBL5954922

CC(C)(Cc1ccccc1)CC(CC(=O)N1CCOCC1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 2/20 0.43
RAB9A P51151 2/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
CTSL P07711 4/20 0.42
CTSS P25774 4/20 0.42
CTSK P43235 3/20 0.42
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL5955735 1.00 FKBP1A (0.50) FKBP1AMEN1KMT2AALDH1A1HPGD
SCHEMBL5955840 0.81 MEN1 (0.41) FKBP1AMEN1KMT2AALDH1A1HPGD
SCHEMBL5955850 0.81 MEN1 (0.41) FKBP1AMEN1KMT2AALDH1A1HPGD
SCHEMBL7269464 0.81 FKBP1A (0.58) FKBP1AMEN1KMT2AALDH1A1HPGD
SCHEMBL7291450 0.81 FKBP1A (0.58) FKBP1AMEN1KMT2AALDH1A1HPGD
SCHEMBL7269457 0.81 FKBP1A (0.58) FKBP1AMEN1KMT2AALDH1A1HPGD
SCHEMBL3006996 0.80 CTSS (0.46) FKBP1AMEN1KMT2AALDH1A1HPGD
SCHEMBL3006999 0.80 CTSS (0.46) FKBP1AMEN1KMT2AALDH1A1HPGD
SCHEMBL5954877 0.80 CTSS (0.40) FKBP1AMEN1KMT2AALDH1A1HPGD
SCHEMBL5954871 0.80 CTSS (0.40) FKBP1AMEN1KMT2AALDH1A1HPGD

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-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-27 US claimed
EP-1515726-A1 MORPHOLINE AND TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-03-23 EP claimed
WO-2004002491-A1 MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-01-08 WO claimed
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 (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 FKBP1A 2478/4885MEN1 4458/4885KMT2A 4602/4885
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.