SCHEMBL5954858

SCHEMBL5954858

CCc1nc(C(=O)[C@H](CC)NC(=O)C(CC(=O)N2CCOCC2)C(c2ccccc2)S(C)(=O)=O)no1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 5/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
CTSS P25774 3/20 0.35
CTSL P07711 2/20 0.35
CTSK P43235 2/20 0.35
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 2/20 0.34
NPC1 O15118 1/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
TPSAB1 Q15661 2/20 0.34
CASP1 P29466 1/20 0.34
PKM P14618 1/20 0.33
NPY2R P49146 1/20 0.33

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
SCHEMBL5955872 0.89 HDAC6 (0.39) KMT2AMEN1ALDH1A1HPGDCTSS
SCHEMBL5955018 0.84 CYP1A2 (0.38) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL5955169 0.84 CYP1A2 (0.38) KMT2AMEN1ALDH1A1HPGDMAPT
Benzene SCHEMBL5954861 0.83 CTSS (0.36) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL5954914 0.82 KMT2A (0.45) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL5955794 0.81 REN (0.37) CTSSCTSLPRSS1PRSS2PRSS3
SCHEMBL6282206 0.81 CTSS (0.39) ALDH1A1CTSSCTSLCTSKPRSS1
SCHEMBL5954856 0.81 CTSS (0.39) ALDH1A1CTSSCTSLCTSKPRSS1
SCHEMBL5955901 0.80 KMT2A (0.42) KMT2AMEN1ALDH1A1HPGDCTSS
SCHEMBL5955729 0.79 KMT2A (0.41) KMT2AMEN1ALDH1A1HPGDCTSS

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-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-27 US claimed
US-7030116-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-18 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-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACUETICALS INC. 2003-06-05 US 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
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 KMT2A 4602/4885MEN1 4458/4885ALDH1A1 3814/4885
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE KMT2A 4602/4885MEN1 4458/4885ALDH1A1 3814/4885

“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.