SCHEMBL5870407

SCHEMBL5870407

CC1OCC(=O)C1NC(=O)C(Cc1ccc(O)cc1)OC(=O)N1Cc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.41
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MMP1 P03956 2/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
SDCBP O00560 1/20 0.35
SDC2 P34741 1/20 0.35
CTSK P43235 3/20 0.34
CTSB P07858 2/20 0.34
CTSS P25774 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL5870540 0.94 HDAC8 (0.45) HDAC8NPC1RAB9AMEN1ALDH1A1
SCHEMBL5870592 0.85 TSHR (0.37) MMP1MMP2MMP9MMP8CTSK
SCHEMBL5870550 0.83 MMP9 (0.46) HDAC8NPC1RAB9AMMP1MMP2
SCHEMBL5870433 0.82 NAAA (0.39) CTSKCTSBCTSS
SCHEMBL5870248 0.81 PSMB5 (0.43) MMP1MMP2CTSKCTSBCTSS
SCHEMBL5870292 0.79 ABHD6 (0.42) NPC1RAB9AMMP1MMP9MEN1
SCHEMBL5870400 0.79 HDAC8 (0.46) HDAC8NPC1RAB9AMMP1MMP2
SCHEMBL5870569 0.79 NAAA (0.46) MMP1MMP2CTSKCTSBCTSS
SCHEMBL5870437 0.76 PSMB5 (0.46) MMP1MMP2CTSKCTSBCTSS
SCHEMBL5870399 0.76 PSMB5 (0.47) NPC1CTSKCTSBCTSSOPRM1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132449-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2006-11-07 US disclosed
US-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPUTICS LIMITED (GB) 2004-07-01 US 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

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-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 HDAC8 1983/4885NPC1 2706/4885RAB9A 2461/4885

“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.