Sugi Predict

Sugi Predict / Compounds / SCHEMBL5954914

SCHEMBL5954914

SCHEMBL5954914

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CTSS P25774 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CTSL P07711 2/20 0.38
▸ CTSK P43235 2/20 0.38
▸ KCNQ2 O43526 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ MME P08473 1/20 0.37
▸ KCNK3 O14649 1/20 0.37

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
SCHEMBL5955901 0.91 KMT2A (0.42) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL5955729 0.90 KMT2A (0.41) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL5524246 0.89 MEN1 (0.40) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL5530656 0.89 MEN1 (0.40) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL5522210 0.89 MEN1 (0.40) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL5955033 0.87 FKBP1A (0.39) KMT2AMEN1ALDH1A1HPGDCTSS
SCHEMBL7125507 0.85 GAA (0.41) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL5955018 0.82 CYP1A2 (0.38) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL5955169 0.82 CYP1A2 (0.38) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL5954858 0.82 KMT2A (0.38) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2

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.