SCHEMBL5870547

SCHEMBL5870547

CN(C(=O)C(Cc1ccc(O)cc1)OC(=O)N1CCc2ccccc2C1)C1COCC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.45
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ABHD6 Q9BV23 1/20 0.40
NLRP3 Q96P20 1/20 0.37
PRMT5 O14744 3/20 0.37
WDR77 Q9BQA1 3/20 0.37
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL5870424 0.94 HDAC8 (0.41) HDAC8MEN1KMT2AALDH1A1MAPT
SCHEMBL5870295 0.86 ABHD6 (0.42) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL5870600 0.80 CTSK (0.35) MEN1KMT2APOLBABHD6NLRP3
SCHEMBL5870440 0.78 OPRM1 (0.33)
SCHEMBL5870540 0.75 HDAC8 (0.45) HDAC8MEN1KMT2AALDH1A1MAPT
SCHEMBL5870407 0.68 HDAC8 (0.41) HDAC8MEN1KMT2AALDH1A1MAPT
SCHEMBL5870405 0.65 CTSS (0.39)
SCHEMBL6102363 0.64 ABHD6 (0.68) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL8610388 0.63 ABHD6 (0.56) HDAC8MEN1KMT2AMAPTABHD6
SCHEMBL11980686 0.63 ABHD6 (0.66) MEN1KMT2AALDH1A1MAPTNPC1

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 1983/4885MEN1 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.