SCHEMBL5955729

SCHEMBL5955729

CCC(NC(=O)C(CC(=O)N1CCOCC1)[C@@H](c1ccccc1)S(C)(=O)=O)C(=O)C(=O)N(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
CTSS P25774 3/20 0.38
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.37
CASP1 P29466 1/20 0.36
KCNK3 O14649 2/20 0.36
CTSK P43235 3/20 0.36
CTSL P07711 2/20 0.36
PKM P14618 1/20 0.36
KCNQ2 O43526 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CTSB P07858 1/20 0.34
CTSH P09668 1/20 0.34
CTSC P53634 1/20 0.34

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
SCHEMBL5954914 0.90 KMT2A (0.45) KMT2AMEN1ALDH1A1HPGDCTSS
SCHEMBL5955901 0.87 KMT2A (0.42) KMT2AMEN1ALDH1A1HPGDCTSS
SCHEMBL5524246 0.85 MEN1 (0.40) KMT2AMEN1ALDH1A1HPGDCTSS
SCHEMBL5522210 0.85 MEN1 (0.40) KMT2AMEN1ALDH1A1HPGDCTSS
SCHEMBL5530656 0.85 MEN1 (0.40) KMT2AMEN1ALDH1A1HPGDCTSS
SCHEMBL5955033 0.83 FKBP1A (0.39) KMT2AMEN1ALDH1A1HPGDCTSS
SCHEMBL7125507 0.81 GAA (0.41) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL5955018 0.79 CYP1A2 (0.38) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL5955169 0.79 CYP1A2 (0.38) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL5954858 0.79 KMT2A (0.38) 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 6 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
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
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.