SCHEMBL4450120

SCHEMBL4450120

C=Cc1ccc(C(=O)NC(Cc2ccc(N)cc2)C(=O)N2CCC3OCC(=O)C32)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.57
CTSS P25774 8/20 0.55
CTSL P07711 5/20 0.55
CTSV O60911 4/20 0.55
CA2 P00918 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38

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
SCHEMBL4451176 0.92 CTSK (0.58) CTSKCTSSCTSLCTSVCA2
SCHEMBL4452631 0.91 CTSK (0.57) CTSKCTSSCTSLCTSVCA2
SCHEMBL4454155 0.91 CTSK (0.57) CTSKCTSSCTSLCTSVTAS1R3
SCHEMBL4448174 0.91 CTSK (0.57) CTSKCTSSCTSLCTSVCA2
SCHEMBL4452648 0.91 CTSS (0.64) CTSKCTSSCTSLCTSV
SCHEMBL4452743 0.90 CTSK (0.57) CTSKCTSSCTSLCTSVTAS1R3
SCHEMBL4448188 0.89 CTSK (0.60) CTSKCTSSCTSLCTSVCA2
SCHEMBL6800638 0.88 CTSS (0.69) CTSKCTSSCTSLCTSV
SCHEMBL5258636 0.88 CTSK (0.64) CTSKCTSSCTSLCTSVCA2
SCHEMBL4446480 0.87 CTSK (0.55) CTSKCTSSCTSLCTSVTAS1R3

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 6 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
US-7425562-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LTD. (GB) 2008-09-16 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
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 (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 CTSK 62/4885CTSS 39/4885CTSL 23/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 CTSK 45/4885CTSS 21/4885CTSL 16/4885

“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.