SCHEMBL5870592

SCHEMBL5870592

CC(C)CC(OC(=O)N1Cc2ccccc2C1)C(=O)NC1C(=O)COC1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CTSK P43235 9/20 0.35
CTSL P07711 7/20 0.35
CTSS P25774 5/20 0.35
CTSB P07858 3/20 0.35
TAAR1 Q96RJ0 1/20 0.35
POLB P06746 1/20 0.34
ABHD6 Q9BV23 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 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
SCHEMBL5870292 0.94 ABHD6 (0.42) MEN1KMT2ATAAR1ABHD6MMP1
SCHEMBL5870407 0.85 HDAC8 (0.41) MEN1KMT2ACTSKCTSSCTSB
SCHEMBL5870559 0.81 CTSK (0.39) TSHRMEN1KMT2AL3MBTL1CTSK
SCHEMBL5870540 0.80 HDAC8 (0.45) TSHRMEN1KMT2APOLBABHD6
SCHEMBL5870600 0.71 CTSK (0.35) MEN1KMT2ACTSKCTSLCTSS
SCHEMBL5870550 0.70 MMP9 (0.46) MMP1MMP2MMP9MMP8
SCHEMBL5870342 0.70 CTSS (0.35) TSHRCTSKCTSLCTSSABHD6
SCHEMBL5870437 0.69 PSMB5 (0.46) CTSKCTSLCTSSCTSBMMP1
SCHEMBL5744398 0.68 CTSK (0.67) CTSKCTSLCTSSCTSB
SCHEMBL5870402 0.68 CTSS (0.42) CTSKCTSLCTSSCTSB

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 TSHR 3128/4885MEN1 2979/4885KMT2A 4012/4885

“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.