SCHEMBL4037636

SCHEMBL4037636

CC(C)(C)c1ccc(C(=O)NC2(C(=O)N3CCC4C3C(=O)CN4C(=O)Cc3cccnc3)CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.42
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR132 Q9UNW8 2/20 0.38
THRB P10828 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
NAMPT P43490 2/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DPP4 P27487 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
SCHEMBL4037440 0.88 GPR132 (0.43) LMNAMAPTGPR132RAB9ANPC1
SCHEMBL4048563 0.86 HDAC1 (0.40) GPR132DPP4PREP
SCHEMBL4046192 0.86 LMNA (0.40) CTSKLMNAALDH1A1MAPTHTT
SCHEMBL4038260 0.83 CTSK (0.38) CTSKLMNAALDH1A1MAPTHTT
SCHEMBL4043534 0.81 CTSK (0.39) CTSKLMNAALDH1A1MAPTHTT
SCHEMBL4047880 0.80 CTSK (0.48) CTSKLMNAALDH1A1GAAMEN1
SCHEMBL4043502 0.80 TNKS (0.39) ALDH1A1MAPTMEN1KMT2ANAMPT
SCHEMBL4041333 0.80 CTSK (0.69) CTSKLMNAALDH1A1MAPTHTT
SCHEMBL4037811 0.79 CTSK (0.57) CTSKLMNAALDH1A1MAPTHTT
SCHEMBL4049108 0.79 CTSK (0.57) CTSKLMNAALDH1A1MAPTHTT

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 CTSK 2/4885LMNA 3686/4885ALDH1A1 4151/4885

“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.