SCHEMBL4459425

SCHEMBL4459425

COC(=O)C(CC1CCCCC1)OC(=O)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.47
ALDH1A1 P00352 1/20 0.44
CTSL P07711 4/20 0.43
TSHR P16473 1/20 0.43
CTSK P43235 3/20 0.41
RECQL P46063 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
REN P00797 1/20 0.39

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
SCHEMBL4449644 0.85 CTSS (0.44) CTSSALDH1A1CTSLTSHRCTSK
SCHEMBL4454183 0.85 CTSS (0.44) CTSSALDH1A1CTSLTSHRCTSK
SCHEMBL6062496 0.81 CTSS (0.52) CTSSCTSLCTSK
SCHEMBL6062505 0.81 CTSS (0.52) CTSSCTSLCTSK
SCHEMBL6062499 0.80 CTSS (0.47) CTSSCTSLCTSKMMP1MMP2
SCHEMBL6632644 0.80 CTSS (0.47) CTSSCTSLCTSKMMP1MMP2
SCHEMBL9739658 0.78 REN (0.51) CTSSCTSLCTSKREN
SCHEMBL4456154 0.77 CTSS (0.59) CTSSCTSLCTSK
SCHEMBL4456156 0.77 CTSS (0.59) CTSSCTSLCTSK
SCHEMBL7279994 0.77 TSHR (0.49) CTSSALDH1A1TSHRCTSKRECQL

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 13 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
CN-1900080-A Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LTD (GB) 2007-01-24 CN disclosed
US-7132449-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2006-11-07 US disclosed
CN-1269822-C Inhibitors of kruenza protease and other cysteine proteases AMURA THERAPEUTICS LTD (GB) 2006-08-16 CN disclosed
US-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases GRUNENTHAL GMBH (DE) 2004-07-15 US disclosed
US-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPUTICS LIMITED (GB) 2004-07-01 US disclosed
CN-1486320-A Inhibitors of kruenza protease and other cysteine proteases ��ķ��ҽ�����޹�˾ 2004-03-31 CN disclosed
EP-1362052-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-19 EP disclosed
EP-1358174-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP disclosed
WO-2002057248-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO 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 (3 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 39/4885ALDH1A1 2908/4885CTSL 23/4885
US-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 CTSS 24/4885ALDH1A1 2913/4885CTSL 22/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 CTSS 21/4885ALDH1A1 3489/4885CTSL 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.