SCHEMBL6752289

SCHEMBL6752289

CC1OCC(=O)C1(C)NC(=O)C(Cc1cccc(O)c1)NC(=O)c1ccc(OC(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.40
HPGDS O60760 1/20 0.37
CTSB P07858 12/20 0.37
CTSS P25774 8/20 0.37
CTSK P43235 8/20 0.37
NLRP3 Q96P20 1/20 0.36
LMNA P02545 2/20 0.35
ATM Q13315 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
CTSV O60911 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
SCHEMBL6747766 0.90 CTSL (0.40) CTSLCTSBCTSSCTSKLMNA
SCHEMBL6749648 0.90 TRPV1 (0.45) CTSLHPGDSCTSBCTSSCTSK
SCHEMBL6747828 0.88 CTSL (0.47) CTSLHPGDSCTSBCTSSCTSK
SCHEMBL6752286 0.88 CTSL (0.51) CTSLHPGDSCTSBCTSSCTSK
SCHEMBL6749622 0.88 CTSB (0.42) CTSLHPGDSCTSBCTSSCTSK
SCHEMBL6747732 0.87 CTSL (0.40) CTSLHPGDSCTSBCTSSCTSK
SCHEMBL6751639 0.87 CTSL (0.50) CTSLHPGDSCTSBCTSSCTSK
SCHEMBL6751875 0.86 CTSB (0.46) CTSLHPGDSCTSBCTSSCTSK
SCHEMBL6747821 0.85 CTSL (0.39) CTSLHPGDSCTSBCTSSCTSK
SCHEMBL6747702 0.83 CTSL (0.44) CTSLHPGDSCTSBCTSSCTSK

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 23/4885HPGDS 1248/4885CTSB 85/4885

“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.