SCHEMBL4039499

SCHEMBL4039499

CC(C)CC(CC(=O)N1CCN(C)CC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-]

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.35
ALDH1A1 P00352 4/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 2/20 0.34
CACNA2D1 P54289 3/20 0.34
CACNA1B Q00975 3/20 0.34
CACNB1 Q02641 3/20 0.34
CACNA1C Q13936 3/20 0.34
REN P00797 3/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
MDM2 Q00987 1/20 0.32
TSHR P16473 2/20 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
SCHEMBL4045822 0.92 KDM4E (0.40) CTSKALDH1A1GAAKMT2APKM
SCHEMBL4039943 0.92 POLB (0.35) CTSKALDH1A1GAAKMT2AREN
SCHEMBL4040595 0.92 CTSK (0.34) CTSKALDH1A1GAAKMT2ALMNA
SCHEMBL4040674 0.91 POLB (0.37) ALDH1A1KMT2ALMNAPKMSMN1; SMN2
SCHEMBL4043419 0.89 CTSK (0.33) CTSK
SCHEMBL4039401 0.88 ALDH1A1 (0.37) CTSKALDH1A1GAAKMT2ACACNA2D1
SCHEMBL4040117 0.87 CTSK (0.32) CTSK
SCHEMBL4041828 0.84 CTSK (0.35) CTSKALDH1A1GAAKMT2ALMNA
SCHEMBL4041508 0.83 CTSK (0.40) CTSK
SCHEMBL4045994 0.81 CTSS (0.40) CTSKREN

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 7 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
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885ALDH1A1 4151/4885GAA 1120/4885

“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.