SCHEMBL6208313

SCHEMBL6208313

N#CCNC(=O)C(Cc1cc(I)c(O)c(I)c1)NC(=O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 14/20 0.53
CTSB P07858 14/20 0.53
CTSS P25774 13/20 0.53
CTSK P43235 12/20 0.53
CTSV O60911 5/20 0.49

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
SCHEMBL6208306 1.00 CTSL (0.53) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6268990 0.96 CTSK (0.49) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6268987 0.96 CTSK (0.49) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6189091 0.95 CTSK (0.48) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6189086 0.95 CTSK (0.48) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6266806 0.92 CTSL (0.50) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6266810 0.92 CTSL (0.50) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6265766 0.90 CTSL (0.52) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6265763 0.90 CTSL (0.52) CTSLCTSBCTSSCTSKCTSV
SCHEMBL5801033 0.88 CTSK (0.49) CTSLCTSBCTSSCTSKCTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005097103-A2 DIABETES AND METABOLIC SYNDROME THERAPY UTILIZING CATHEPSIN B INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-10-20 WO claimed
US-20050282871-A1 3-(3,5-Disubstituted-4-hydroxyphenyl)propionamide derivatives as cathepsin b inhibitors BURRILL II LELAND C 2005-12-22 US disclosed
WO-2005097103-A2 DIABETES AND METABOLIC SYNDROME THERAPY UTILIZING CATHEPSIN B INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-10-20 WO disclosed
EP-1539725-A1 3-(3,5-DISUBSTITUTED-4-HYDROXYPHENYL)PROPIONAMIDE DERIVATIVES AS CATHEPSIN B INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-06-15 EP disclosed
WO-2004026851-A1 3-(3,5-DISUBSTITUTED-4-HYDROXYPHENYL)PROPIONAMIDE DERIVATIVES AS CATHEPSIN B INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-04-01 WO 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-20050282871-A1 3-(3,5-Disubstituted-4-hydroxyphenyl)propionamide derivatives as cathepsin b inhibitors CTSB, CTSZ, CTSS CTSL 14/4885CTSB 1/4885CTSS 3/4885

“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.