SCHEMBL6747703

SCHEMBL6747703

CN(C(=O)C(Cc1cccc(O)c1)NC(=O)c1cccc(Br)c1)C1(C)COCC1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.40
CTSB P07858 4/20 0.40
CTSS P25774 4/20 0.40
CTSK P43235 3/20 0.40
HPGDS O60760 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PYGL P06737 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
CTSV O60911 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL6984404 0.92 ITGB1 (0.40) CTSLCTSBCTSSCTSKHPGDS
SCHEMBL6749630 0.92 HPGDS (0.39) CTSLCTSBCTSSCTSKHPGDS
SCHEMBL6747834 0.91 HPGDS (0.44) CTSLCTSBCTSSCTSKHPGDS
SCHEMBL6751642 0.86 CTSL (0.45) CTSLCTSBCTSSCTSKHPGDS
SCHEMBL6985444 0.86 HPGDS (0.39) CTSLCTSBCTSSCTSKHPGDS
SCHEMBL6752290 0.86 CTSL (0.46) CTSLHPGDS
SCHEMBL6751687 0.85 CTSB (0.43) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL6752292 0.84 HPGDS (0.37) CTSLHPGDSPYGL
SCHEMBL6752382 0.83 HPGDS (0.47) CTSLCTSBCTSSCTSKHPGDS
SCHEMBL6749652 0.83 TRPV1 (0.44) CTSLHPGDS

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 1 patent. 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

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 23/4885CTSB 85/4885CTSS 46/4885

“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.