SCHEMBL6753776

SCHEMBL6753776

CC1OCC(=O)C1(C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccc(-n2cccn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.39
KDM1A O60341 11/20 0.39
GCGR P47871 1/20 0.38
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
CTSB P07858 2/20 0.35
ACE P12821 1/20 0.35

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
SCHEMBL6749628 0.92 KDM1A (0.38) CTSLKDM1ACTSSCTSKCTSB
SCHEMBL6751665 0.87 KDM1A (0.42) CTSLKDM1ACTSSCTSKCTSB
SCHEMBL6989116 0.86 GFER (0.43) CTSLKDM1ACTSSCTSKITGB1
SCHEMBL6751806 0.85 CTSL (0.54) CTSLCTSSCTSKCTSBACE
SCHEMBL6985501 0.84 GCGR (0.41) KDM1AGCGR
SCHEMBL6988397 0.83 CTSL (0.43) CTSLCTSSCTSKITGB1ITGA4
SCHEMBL6747731 0.82 CTSL (0.42) CTSLCTSSCTSKITGB1ITGA4
SCHEMBL6747644 0.82 CTSL (0.42) CTSLCTSSCTSKCTSB
SCHEMBL6749679 0.81 CTSL (0.42) CTSLCTSSCTSKCTSB
SCHEMBL6751310 0.81 CTSB (0.51) CTSLCTSSCTSKITGB1ITGA4

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-20040127549-A1 Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2004-07-01 US disclosed
EP-1362042-A1 CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-19 EP disclosed
WO-2002057249-A1 CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 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-20040127549-A1 Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 CTSL 23/4885KDM1A 1902/4885GCGR 3206/4885

“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.