SCHEMBL6804307

SCHEMBL6804307

O=C(NC(Cc1ccccc1)C(=O)N1CCC=C2OCC(=O)C21)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
TSHR P16473 1/20 0.45
ACE P12821 10/20 0.44
ACE2 Q9BYF1 8/20 0.44
CTSV O60911 2/20 0.44
CTSL P07711 2/20 0.44
CTSS P25774 2/20 0.44

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
SCHEMBL4452919 0.94 ACE (0.47) KMT2ATSHRACEACE2CTSV
SCHEMBL5105221 0.89 CTSV (0.40) KMT2ATSHRACEACE2CTSV
SCHEMBL4457998 0.88 CCKBR (0.41) KMT2ATSHRACEACE2CTSV
SCHEMBL6798801 0.87 ACE (0.43) KMT2ATSHRACEACE2CTSL
SCHEMBL6799404 0.86 CTSL (0.62) TSHRCTSVCTSLCTSS
SCHEMBL4454262 0.85 ITGB3 (0.42) KMT2ATSHRACEACE2CTSL
SCHEMBL6798893 0.85 CHRNA1 (0.42) ACE2CTSLCTSS
SCHEMBL6798370 0.85 GPR132 (0.42) KMT2ATSHRACEACE2CTSL
SCHEMBL4449534 0.84 ACE (0.38) KMT2ATSHRACEACE2CTSL
SCHEMBL4458967 0.84 CTSK (0.47) TSHRACEACE2CTSLCTSS

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-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases GRUNENTHAL GMBH (DE) 2004-07-15 US disclosed
EP-1362052-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-19 EP disclosed
WO-2002057270-A1 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-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 KMT2A 3948/4885TSHR 3678/4885ACE 371/4885

“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.