SCHEMBL4039401

SCHEMBL4039401

CC(C)CC(CC(=O)N1CCN(C)CC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 1/20 0.37
REN P00797 7/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MDM2 Q00987 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSK P43235 3/20 0.34
CASP1 P29466 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNB1 Q02641 1/20 0.33
CACNA1C Q13936 1/20 0.33
TSHR P16473 1/20 0.31

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
SCHEMBL4041865 0.91 ALDH1A1 (0.34) ALDH1A1GAAKMT2ANPC1RAB9A
SCHEMBL4043526 0.91 KMT2A (0.35) ALDH1A1GAAKMT2ARENRAB9A
SCHEMBL4042824 0.91 KDM4E (0.40) ALDH1A1GAAKMT2ANPC1RAB9A
SCHEMBL4043993 0.89 ALDH1A1 (0.39) ALDH1A1GAAKMT2ALMNASMN1; SMN2
SCHEMBL4042023 0.88 CTSK (0.33) ALDH1A1GAAKMT2ACTSK
SCHEMBL4039499 0.88 CTSK (0.35) ALDH1A1GAAKMT2ARENNPC1
SCHEMBL4039938 0.86 HSD17B10 (0.38) ALDH1A1GAAKMT2ASMN1; SMN2CACNA2D1
SCHEMBL4038934 0.86 CTSK (0.32) ALDH1A1GAAKMT2ACTSK
SCHEMBL4043541 0.83 ALDH1A1 (0.35) ALDH1A1GAAKMT2ANPC1RAB9A
SCHEMBL4041508 0.82 CTSK (0.40) CTSK

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 8 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-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO 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 ALDH1A1 4151/4885GAA 1120/4885KMT2A 3867/4885

“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.