SCHEMBL4039452

SCHEMBL4039452

CC(C[CH]C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1)C(N)=O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.32
SNRNP200 O75643 1/20 0.30
MT-CO2 P00403 1/20 0.30
ALOX5 P09917 1/20 0.30
PDE5A O76074 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE7A Q13946 1/20 0.30
PDE3A Q14432 1/20 0.30
GRM4 Q14833 1/20 0.30

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
SCHEMBL4041823 0.87 CTSK (0.39) CTSK
SCHEMBL4040192 0.85 MT-CO2 (0.31) MT-CO2ALOX5
SCHEMBL4040766 0.85 CTSK (0.40) CTSKSNRNP200PDE5APDE4BPDE7A
SCHEMBL6240442 0.85 NPC1 (0.32) MT-CO2ALOX5GRM4
SCHEMBL4044357 0.85 MAPK1 (0.32) CTSKMT-CO2ALOX5GRM4
SCHEMBL4044726 0.85 PARP1 (0.34) CTSK
SCHEMBL4040282 0.84 PIK3CD (0.35) CTSK
SCHEMBL4049235 0.82 TSHR (0.38) CTSK
SCHEMBL4046518 0.82 ESR1 (0.31)
SCHEMBL6210237 0.81 DPP4 (0.34) CTSKMT-CO2ALOX5GRM4

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 2/4885SNRNP200 2830/4885MT-CO2 2156/4885

“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.