SCHEMBL6847007

SCHEMBL6847007

O=C1CCC1NC(=O)C(CS(=O)(=O)Cc1ccccc1OC(F)F)NC(=O)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.43
CTSL P07711 7/20 0.43
CTSK P43235 4/20 0.43
CTSB P07858 3/20 0.36
KMT2A Q03164 1/20 0.35
TACR2 P21452 2/20 0.34
CNR2 P34972 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
SCHEMBL6847855 0.95 CTSS (0.43) CTSSCTSLCTSKCTSBKMT2A
SCHEMBL6842993 0.95 CTSS (0.44) CTSSCTSLCTSKCTSBKMT2A
SCHEMBL14491116 0.95 CTSS (0.44) CTSSCTSLCTSKCTSBKMT2A
SCHEMBL5471908 0.86 CTSS (0.41) CTSSCTSLCTSKCTSBTACR2
SCHEMBL5436195 0.84 CTSS (0.46) CTSSCTSLCTSKCTSBKMT2A
SCHEMBL6743322 0.84 CTSS (0.46) CTSSCTSLCTSKCTSBKMT2A
SCHEMBL1987948 0.81 CTSS (0.50) CTSSCTSLCTSB
SCHEMBL1557679 0.81 CTSS (0.50) CTSSCTSLCTSB
SCHEMBL5438734 0.79 KMT2A (0.34) KMT2A
SCHEMBL6063311 0.79 CTSS (0.49) CTSSCTSLCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. 2004-09-30 US claimed
US-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. 2004-09-30 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-20040192742-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.