SCHEMBL6077978

SCHEMBL6077978

CCC[C@H](NC(=O)[C@@H](CC(=O)N1CCOCC1)CC(C)(C)Cc1ccccc1OC(F)F)C(=O)c1nc2ccccc2o1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.37
CTSK P43235 6/20 0.37
CTSL P07711 5/20 0.37
REN P00797 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 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
SCHEMBL8361685 0.89 CTSS (0.38) CTSSCTSKCTSLRENMEN1
SCHEMBL6076981 0.87 CTSS (0.40) CTSSCTSKCTSLMEN1ALDH1A1
SCHEMBL6076733 0.86 CTSS (0.42) CTSSCTSKMEN1ALDH1A1HTT
SCHEMBL6077085 0.85 CTSS (0.40) CTSSCTSKCTSLMEN1ALDH1A1
SCHEMBL14562971 0.82 CTSS (0.41) CTSSCYP3A4CYP2C9
SCHEMBL5417343 0.82 CTSS (0.41) CTSSCYP3A4CYP2C9
SCHEMBL5435165 0.80 CTSS (0.38) CTSSCTSLMEN1ALDH1A1HTT
SCHEMBL14562914 0.80 CTSS (0.38) CTSSCTSLMEN1ALDH1A1HTT
SCHEMBL6467758 0.79 CTSS (0.40) CTSSCYP3A4CYP2C9
SCHEMBL6077896 0.78 CTSS (0.37) CTSSCTSKCTSLREN

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 3 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
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 1/4885CTSK 8/4885CTSL 11/4885

“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.