SCHEMBL6208881

SCHEMBL6208881

CC(C)(C)OC(=O)NC(Cc1cc(I)c(O)c(I)c1)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 5/20 0.39
▸ CTSS P25774 5/20 0.39
▸ CTSK P43235 4/20 0.39
▸ ACE P12821 1/20 0.39
▸ KLK5 Q9Y337 1/20 0.39
▸ AKT1 P31749 1/20 0.38
▸ CTSB P07858 2/20 0.38
▸ CTSL P07711 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ TACR1 P25103 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
SCHEMBL4450702 1.00 SCN9A (0.39) SCN9ACTSSCTSKACEKLK5
SCHEMBL9295836 0.92 THRB (0.44) SCN9ACTSSCTSKACEKLK5
SCHEMBL3750286 0.85 CTSS (0.55) SCN9ACTSSCTSKACEKLK5
SCHEMBL10723853 0.85 CTSS (0.55) SCN9ACTSSCTSKACEKLK5
SCHEMBL23085808 0.84 LCK (0.46) CTSSCTSKACEKLK5AKT1
SCHEMBL23085810 0.84 LCK (0.46) CTSSCTSKACEKLK5AKT1
SCHEMBL7060490 0.84 CTSS (0.56) SCN9ACTSSCTSKACEKLK5
SCHEMBL1032021 0.84 CTSS (0.56) SCN9ACTSSCTSKACEKLK5
SCHEMBL3171386 0.84 CTSS (0.56) SCN9ACTSSCTSKACEKLK5
SCHEMBL17635786 0.83 CYP3A4 (0.37) —

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-20050282871-A1 3-(3,5-Disubstituted-4-hydroxyphenyl)propionamide derivatives as cathepsin b inhibitors BURRILL II LELAND C 2005-12-22 — — US 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 SCN9A 3579/4885CTSS 3/4885CTSK 12/4885

“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.

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