SCHEMBL6698646

SCHEMBL6698646

CC(C)(C)c1ccc(C(=O)NC(Cc2ccc(Cl)cc2)C(=O)NC23CCCC2OCC3=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
AVPR1A P37288 10/20 0.39
CTSK P43235 4/20 0.39
CTSL P07711 3/20 0.38
CA2 P00918 1/20 0.37
OXTR P30559 1/20 0.37
CTSB P07858 3/20 0.37
CTSS P25774 2/20 0.37
KCNH2 Q12809 1/20 0.37
POLB P06746 1/20 0.36
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL6300662 0.92 CTSL (0.39) CTSKCTSLCA2CTSBCTSS
SCHEMBL6696901 0.92 USP30 (0.42) CTSKCTSLCA2CTSBCTSS
SCHEMBL6300585 0.92 CTSL (0.39) CTSKCTSLCA2CTSBCTSS
SCHEMBL6294311 0.92 PSMB5 (0.40) AVPR1ACTSKCTSLCA2OXTR
SCHEMBL6699255 0.91 CTSL (0.40) CTSKCTSLCTSBCTSS
SCHEMBL6698937 0.91 TACR2 (0.40) MEN1KMT2AAVPR1ACTSKCTSL
SCHEMBL6701120 0.89 CTSB (0.49) AVPR1ACTSKCTSLCA2OXTR
SCHEMBL6699086 0.87 KLKB1 (0.43) CTSKCTSLCTSBCTSSUSP30
SCHEMBL6300424 0.86 IDO1 (0.44) KMT2AAVPR1ACTSKCTSLCA2
SCHEMBL6701483 0.85 CTSK (0.54) CTSKCTSLCTSBCTSS

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-20040106805-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2004-06-03 US disclosed
EP-1358176-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP disclosed
WO-2002057246-A2 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-20040106805-A1 Inhibitors of cruzipain and other cysteine proteases CTRL, CPN1, CPA1 MEN1 1840/4885CYP1A2 4593/4885CYP2C19 4181/4885

“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.