SCHEMBL4043889

SCHEMBL4043889

CC(C)CC(CC(=O)N1CCN(c2ccccc2)CC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CTSK P43235 13/20 0.39
CTSL P07711 11/20 0.39
CTSS P25774 11/20 0.39
CTSB P07858 2/20 0.37
CTSV O60911 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.35

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
SCHEMBL4041508 0.91 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4042797 0.91 CTSK (0.45) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4042739 0.89 CTSL (0.41) KDM4ECTSKCTSLCTSSCTSB
SCHEMBL4044086 0.89 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043258 0.89 KDM4E (0.39) KDM4ECYP2C9CYP2C19CTSKHSD17B10
SCHEMBL4043087 0.89 KDM4E (0.39) KDM4ECYP2C9CYP2C19CTSKHSD17B10
SCHEMBL4040399 0.87 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4041227 0.86 CHRM1 (0.42) KDM4ECYP2C9CYP2C19HSD17B10MAPT
SCHEMBL4040625 0.85 CTSK (0.38) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6209026 0.85 KDM4E (0.40) KDM4ECYP2C9CYP2C19CTSKMAPT

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 KDM4E 3911/4885CYP2C9 80/4885CYP2C19 430/4885

“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.