SCHEMBL4451968

SCHEMBL4451968

O=C(NC(CC1CC1)C(=O)N1CCC2OCC(=O)C21)c1ccc(OC(F)F)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.69
CTSL P07711 5/20 0.69
CTSV O60911 4/20 0.69
CTSK P43235 12/20 0.59
IDO1 P14902 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 0.37
GFER P55789 1/20 0.37
ADAM17 P78536 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
SCHEMBL4456121 0.89 CTSK (0.74) CTSSCTSLCTSVCTSK
SCHEMBL4453047 0.89 CTSS (0.68) CTSSCTSLCTSVCTSK
SCHEMBL4452934 0.89 CTSK (0.60) CTSSCTSLCTSVCTSKIDO1
SCHEMBL4449046 0.88 CTSS (0.62) CTSSCTSLCTSVCTSKKMT2A
SCHEMBL6808196 0.88 CTSS (0.77) CTSSCTSLCTSVCTSKADAM17
SCHEMBL4458993 0.87 CTSK (0.56) CTSSCTSLCTSVCTSKIDO1
SCHEMBL4448433 0.87 CTSK (0.56) CTSSCTSLCTSVCTSKIDO1
SCHEMBL4451340 0.86 CTSS (0.72) CTSSCTSLCTSVCTSK
SCHEMBL4452878 0.86 CTSK (0.56) CTSSCTSLCTSVCTSKIDO1
SCHEMBL4454210 0.86 CTSK (0.56) CTSSCTSLCTSVCTSKIDO1

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 CTSS 39/4885CTSL 23/4885CTSV 27/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 CTSS 21/4885CTSL 16/4885CTSV 18/4885

“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.