SCHEMBL6076147

SCHEMBL6076147

O=C(N[C@@H](CCc1ccccc1)C(=O)c1ncco1)C(CCCc1ccccc1)CC(=O)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.49
CTSL P07711 5/20 0.49
CTSK P43235 4/20 0.49
FAAH O00519 4/20 0.45
CES1 P23141 1/20 0.43
NCEH1 Q6PIU2 1/20 0.43
FKBP1A P62942 1/20 0.42
MMP1 P03956 4/20 0.41
MMP3 P08254 4/20 0.41
MMP9 P14780 1/20 0.41
MMP2 P08253 3/20 0.40
MMP7 P09237 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6076065 0.93 CTSS (0.50) CTSSCTSLCTSKFAAHCES1
SCHEMBL5428498 0.88 CTSS (0.45) CTSSCTSLCTSKFAAHFKBP1A
SCHEMBL14563089 0.88 CTSS (0.45) CTSSCTSLCTSKFAAHFKBP1A
SCHEMBL5954906 0.87 CTSS (0.66) CTSSCTSLCTSK
SCHEMBL5954902 0.87 CTSS (0.66) CTSSCTSLCTSK
SCHEMBL5421398 0.87 CTSS (0.46) CTSSCTSLCTSKMMP1MMP3
SCHEMBL14562977 0.87 CTSS (0.46) CTSSCTSLCTSKMMP1MMP3
SCHEMBL5954996 0.86 CTSS (0.48) CTSSCTSLCTSKFAAHFKBP1A
SCHEMBL14563001 0.85 CTSS (0.48) CTSSCTSLCTSKFAAH
SCHEMBL5426801 0.85 CTSS (0.48) CTSSCTSLCTSKFAAH

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACUETICALS INC. 2003-06-05 US claimed
US-7030116-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-18 US 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 (1 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 CTSS 1/4885CTSL 11/4885CTSK 8/4885

“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.