SCHEMBL4041022

SCHEMBL4041022

CC(C)CC(NC(=O)c1ccc(-n2ccnc2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.59
CTSS P25774 2/20 0.45
CTSL P07711 1/20 0.44
TDP1 Q9NUW8 1/20 0.39
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
TAOK1 Q7L7X3 1/20 0.37
TAOK3 Q9H2K8 1/20 0.37
CCR1 P32246 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL4039681 0.92 CTSK (0.49) CTSKCTSSCTSLTDP1GFER
SCHEMBL4042199 0.89 CTSK (0.64) CTSKCTSSCTSLKDM4EALDH1A1
SCHEMBL4043840 0.89 CTSK (0.49) CTSKCTSSCTSLTDP1GFER
SCHEMBL4046526 0.89 CTSK (0.72) CTSKCTSSCTSLCCR1KDM4E
SCHEMBL4037045 0.89 CTSK (0.72) CTSKCTSSCTSLCCR1KDM4E
SCHEMBL4041263 0.88 CTSK (0.66) CTSKCTSSCTSLKMT2ACCR1
SCHEMBL4037326 0.87 CTSK (0.65) CTSKCTSSCTSLCCR1KDM4E
SCHEMBL4039935 0.87 CTSK (0.65) CTSKCTSSCTSLCCR1KDM4E
SCHEMBL4039711 0.87 CTSK (0.61) CTSKCTSSCTSLKMT2AKDM4E
SCHEMBL4043427 0.87 CTSK (0.61) CTSKCTSSCTSL

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784177-B1 FORMULATION FOR L-TRYPTOPHANE COMPRISING CARBIDOPA/BENSERAZIDE KAMPRAD KG DR (DE) 2009-04-29 EP claimed
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 2/4885CTSS 3/4885CTSL 57/4885

“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.