SCHEMBL4038260

SCHEMBL4038260

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.38
SMYD3 Q9H7B4 1/20 0.37
MAPT P10636 5/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
NAMPT P43490 3/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
THRB P10828 1/20 0.35
HSD11B1 P28845 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
SLC2A1 P11166 1/20 0.34
CNR2 P34972 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL4043534 0.90 CTSK (0.39) CTSKMAPTLMNANAMPTRAB9A
SCHEMBL4046192 0.88 LMNA (0.40) CTSKSMYD3MAPTLMNAHPGD
SCHEMBL4041246 0.88 MMP1 (0.38) SMYD3MAPTLMNATP53HPGD
SCHEMBL4041130 0.87 CTSK (0.39) CTSKSMYD3LMNAKMT2AHSD11B1
SCHEMBL4039472 0.86 HDAC1 (0.35) SMYD3MAPTLMNATP53HPGD
SCHEMBL4047319 0.85 CTSK (0.42) CTSKSMYD3LMNAALDH1A1HTT
SCHEMBL4037636 0.83 CTSK (0.42) CTSKMAPTLMNAHPGDNAMPT
SCHEMBL4044060 0.82 PLA2G1B (0.40) CTSKLMNARAB9ANPC1ALDH1A1
SCHEMBL4041121 0.81 ALDH1A1 (0.40) CTSKLMNAKMT2ARAB9ANPC1
SCHEMBL4044013 0.81 CTSK (0.39) CTSKLMNAKMT2AHSD11B1ALDH1A1

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 2/4885SMYD3 4011/4885MAPT 3367/4885

“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.