SCHEMBL5870600

SCHEMBL5870600

CC(C)CC(OC(=O)N1Cc2ccccc2C1)C(=O)N(C)C1COCC1=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CTSL P07711 2/20 0.35
CTSS P25774 2/20 0.35
POLB P06746 1/20 0.34
CTSB P07858 1/20 0.33
NAMPT P43490 2/20 0.33
ABHD6 Q9BV23 2/20 0.32
NLRP3 Q96P20 1/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
DPP7 Q9UHL4 2/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL5870295 0.94 ABHD6 (0.42) MEN1KMT2ATAAR1POLBABHD6
SCHEMBL5870424 0.85 HDAC8 (0.41) CTSKMEN1KMT2ACTSLCTSS
SCHEMBL5870547 0.80 HDAC8 (0.45) MEN1KMT2APOLBABHD6NLRP3
SCHEMBL5870349 0.71 SMN1; SMN2 (0.35) CTSKCTSLCTSSPOLB
SCHEMBL5870592 0.71 TSHR (0.37) CTSKMEN1KMT2ATAAR1CTSL
SCHEMBL5870405 0.69 CTSS (0.39) CTSKCTSLCTSSCTSB
SCHEMBL5870440 0.67 OPRM1 (0.33) CTSKCTSLCTSSCTSB
SCHEMBL8610388 0.66 ABHD6 (0.56) MEN1KMT2ATAAR1ABHD6NLRP3
SCHEMBL5870292 0.66 ABHD6 (0.42) MEN1KMT2ATAAR1ABHD6
SCHEMBL7915917 0.65 NOTUM (0.55) ABHD6DPP8DPP9DPP7DPP4

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 2 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

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 CTSK 58/4885MEN1 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.