SCHEMBL4452919

SCHEMBL4452919

O=C(NC(Cc1ccc(O)cc1)C(=O)N1CCC=C2OCC(=O)C21)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.47
CTSL P07711 3/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
CTSV O60911 2/20 0.41
CTSS P25774 2/20 0.41
P4HB P07237 1/20 0.41
ACE2 Q9BYF1 6/20 0.41
GRIA1 P42261 1/20 0.40

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
SCHEMBL6804307 0.94 KMT2A (0.49) ACECTSLTSHRKMT2ACTSV
SCHEMBL6798801 0.92 ACE (0.43) ACECTSLTSHRKMT2AITGB3
SCHEMBL4454262 0.91 ITGB3 (0.42) ACECTSLTSHRKMT2AITGB3
SCHEMBL6798370 0.90 GPR132 (0.42) ACECTSLTSHRKMT2AITGB3
SCHEMBL4449534 0.90 ACE (0.38) ACECTSLTSHRKMT2AITGB3
SCHEMBL4458967 0.89 CTSK (0.47) ACECTSLTSHRITGB3ITGA2B
SCHEMBL4458898 0.89 ITGB3 (0.41) ACECTSLTSHRITGB3ITGA2B
SCHEMBL4452835 0.89 ITGB3 (0.41) ACECTSLTSHRITGB3ITGA2B
SCHEMBL6798893 0.89 CHRNA1 (0.42) CTSLCTSSACE2GRIA1
SCHEMBL4449465 0.89 ITGB3 (0.40) ACECTSLTSHRKMT2AITGB3

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-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LTD. (GB) 2009-10-01 US disclosed
EP-1362052-B1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2007-03-07 EP disclosed
US-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases GRUNENTHAL GMBH (DE) 2004-07-15 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 (2 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 ACE 371/4885CTSL 23/4885TSHR 3678/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 ACE 267/4885CTSL 16/4885TSHR 2868/4885

“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.