SCHEMBL4043068

SCHEMBL4043068

O=C(NC1(C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)Cc2ccccn2)CCCCC1)c1ccc(-c2cccs2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.36
HDAC2 Q92769 3/20 0.36
DPP4 P27487 1/20 0.35
PREP P48147 1/20 0.35
DRD2 P14416 4/20 0.34
DRD4 P21917 4/20 0.34
HTR2A P28223 1/20 0.34
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
CTSS P25774 2/20 0.34
CHRM4 P08173 1/20 0.33
KCNH2 Q12809 2/20 0.33
CTSK P43235 1/20 0.33
TACR3 P29371 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HDAC3 O15379 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A2 P23975 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
SCHEMBL4043621 0.89 CTSK (0.39) HDAC1DPP4PREPDRD2DRD4
SCHEMBL4040909 0.87 GPR132 (0.36) HDAC1HDAC2DPP4PREPDRD2
SCHEMBL4042382 0.87 HDAC1 (0.35) HDAC1HDAC2DPP4PREPDRD2
SCHEMBL4039419 0.87 HDAC1 (0.39) HDAC1HDAC2DPP4PREPDRD2
SCHEMBL4041121 0.87 ALDH1A1 (0.40) CTSLCTSSCTSKLMNAPKM
SCHEMBL4041605 0.86 MAPK14 (0.40) CTSLCTSBCTSSCHRM4CTSK
SCHEMBL4214143 0.85 DPP4 (0.36) HDAC1DPP4PREPDRD2DRD4
SCHEMBL4040806 0.83 CTSK (0.38) HDAC1HDAC2DPP4PREPDRD2
SCHEMBL4039472 0.83 HDAC1 (0.35) HDAC1HDAC2DPP4PREPCHRM4
SCHEMBL4039814 0.82 HDAC1 (0.36) HDAC1HDAC2DPP4PREPDRD2

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 HDAC1 261/4885HDAC2 403/4885DPP4 3448/4885

“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.