SCHEMBL6747773

SCHEMBL6747773

CCC1(NC(=O)C(Cc2ccc(O)cc2)NC(=O)c2cccc(Br)c2)COCC1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.43
CTSB P07858 3/20 0.40
CTSS P25774 3/20 0.40
CTSK P43235 3/20 0.40
LNPEP Q9UIQ6 5/20 0.40
ERAP2 Q6P179 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP30 Q70CQ3 1/20 0.39
ERAP1 Q9NZ08 2/20 0.38
GRIA1 P42261 1/20 0.37
HPGDS O60760 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KDR P35968 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
SCHEMBL6984396 0.83 CTSL (0.43) CTSLCTSBCTSSCTSKLNPEP
SCHEMBL6984404 0.81 ITGB1 (0.40) CTSLCTSBCTSSCTSKLNPEP
SCHEMBL6747702 0.76 CTSL (0.44) CTSLCTSBCTSSCTSKL3MBTL1
SCHEMBL6747703 0.73 CTSL (0.40) CTSLCTSBCTSSCTSKL3MBTL1
SCHEMBL6988397 0.72 CTSL (0.43) CTSLCTSBCTSSCTSKLNPEP
SCHEMBL6751806 0.71 CTSL (0.54) CTSLCTSBCTSSCTSKUSP30
SCHEMBL6751811 0.69 CTSL (0.48) CTSLCTSBCTSSCTSKUSP30
SCHEMBL4452807 0.68 CTSS (0.57) CTSLCTSSCTSK
SCHEMBL6751681 0.68 CTSK (0.44) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL5926429 0.68 HDAC1 (0.58) LNPEPERAP2ERAP1ALDH1A1

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.