SCHEMBL4044028

SCHEMBL4044028

CC(C)CC(NC(=O)c1ccc(-n2ccnc2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.50
AHR P35869 1/20 0.40
CTSS P25774 1/20 0.39
GFER P55789 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PREP P48147 2/20 0.37
FAP Q12884 1/20 0.37
HDAC1 Q13547 1/20 0.36
KMT2A Q03164 1/20 0.36
DNMT3B Q9UBC3 1/20 0.36
UBE2N P61088 1/20 0.36
ROCK2 O75116 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
SCHEMBL4040654 0.92 CTSK (0.41) CTSKAHRCTSSGFERTDP1
SCHEMBL3951606 0.90 CTSK (0.49) CTSKAHRCTSSGFERTDP1
SCHEMBL4041900 0.90 CTSK (0.54) CTSKCTSSPREPFAP
SCHEMBL4045315 0.89 CTSK (0.53) CTSKCTSSPREPFAP
SCHEMBL4038890 0.89 CTSK (0.50) CTSKCTSSPREPFAP
SCHEMBL4041417 0.89 CTSK (0.57) CTSKCTSS
SCHEMBL4040987 0.89 CTSK (0.65) CTSKCTSSPREPFAP
SCHEMBL4043840 0.88 CTSK (0.49) CTSKCTSSGFERTDP1KMT2A
SCHEMBL4040633 0.88 CTSK (0.48) CTSKAHRCTSSGFERTDP1
SCHEMBL4040176 0.88 CTSK (0.52) CTSKCTSSPREPFAPKMT2A

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 2/4885AHR 1859/4885CTSS 3/4885

“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.