SCHEMBL4043534

SCHEMBL4043534

CC(C)(C)c1ccc(C(=O)NC2(C(=O)N3CCC4C3C(=O)CN4S(=O)(=O)C(=O)c3cccnc3)CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.39
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 3/20 0.34
THRB P10828 2/20 0.34
MAPT P10636 2/20 0.34
NAMPT P43490 3/20 0.34
PREP P48147 3/20 0.34
FAP Q12884 2/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
RORC P51449 1/20 0.33
GPR132 Q9UNW8 1/20 0.33
SLC2A1 P11166 1/20 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
SCHEMBL4038260 0.90 CTSK (0.38) CTSKRAB9ANPC1ALDH1A1THRB
SCHEMBL4042029 0.88 GPR132 (0.38) RAB9ANPC1ALDH1A1PREPFAP
SCHEMBL4046192 0.87 LMNA (0.40) CTSKALDH1A1THRBMAPTNAMPT
SCHEMBL4044060 0.87 PLA2G1B (0.40) CTSKRAB9ANPC1ALDH1A1LMNA
SCHEMBL4039814 0.87 HDAC1 (0.36) RAB9ANPC1ALDH1A1MAPTPREP
SCHEMBL4047319 0.83 CTSK (0.42) CTSKALDH1A1LMNAHTT
SCHEMBL4037636 0.81 CTSK (0.42) CTSKRAB9ANPC1ALDH1A1THRB
SCHEMBL4041121 0.80 ALDH1A1 (0.40) CTSKRAB9ANPC1ALDH1A1LMNA
SCHEMBL4041130 0.80 CTSK (0.39) CTSKALDH1A1LMNAHTT
SCHEMBL4044516 0.80 CNR2 (0.35) ALDH1A1PREPFAPLMNAHTT

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 2/4885RAB9A 858/4885NPC1 787/4885

“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.