SCHEMBL4043526

SCHEMBL4043526

CC(C)CC(CC(=O)N1CCOCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
AIMP2 Q13155 1/20 0.35
MEN1 O00255 1/20 0.35
REN P00797 7/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.34
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CTSK P43235 2/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4043541 0.91 ALDH1A1 (0.35) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL4039401 0.91 ALDH1A1 (0.37) KMT2ARENALDH1A1GAACTSK
SCHEMBL4041865 0.91 ALDH1A1 (0.34) KMT2AALDH1A1GAACTSKRAB9A
SCHEMBL4042824 0.90 KDM4E (0.40) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL3946036 0.89 CTSS (0.41) RENCTSK
SCHEMBL4042023 0.88 CTSK (0.33) KMT2AALDH1A1GAACTSK
SCHEMBL4039943 0.88 POLB (0.35) KMT2AAIMP2MEN1RENALDH1A1
SCHEMBL4043993 0.87 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL4044663 0.87 HSD17B10 (0.37) KMT2ARENALDH1A1GAA
SCHEMBL4038934 0.86 CTSK (0.32) KMT2AALDH1A1GAACTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS KMT2A 3867/4885AIMP2 4831/4885MEN1 3247/4885

“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.