SCHEMBL4045201

SCHEMBL4045201

CC(C)CC(NC(=O)c1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.46
CHRNB2 P17787 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
CTSS P25774 7/20 0.41
HPGDS O60760 1/20 0.40
CTSB P07858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 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
SCHEMBL4048075 0.93 CTSK (0.51) CTSKCHRNA7CTSSHPGDSCTSB
SCHEMBL4046827 0.92 CTSK (0.48) CTSKCHRNB2CHRNA7CHRNA4CTSS
SCHEMBL4037989 0.89 CTSK (0.42) CTSKCHRNB2CHRNA7CHRNA4CTSS
SCHEMBL4041636 0.88 CTSK (0.47) CTSKCHRNA7CTSSHPGDSCTSB
SCHEMBL4042035 0.87 CTSK (0.47) CTSKCTSSHPGDSCTSBCTSL
SCHEMBL4046318 0.86 CTSK (0.47) CTSKCHRNA7CTSSHPGDSCTSB
SCHEMBL4046431 0.85 CTSK (0.60) CTSKCHRNB2CHRNA7CHRNA4CTSS
SCHEMBL4041389 0.84 CTSK (0.48) CTSKCTSSCTSBHSD17B10CTSL
SCHEMBL4040525 0.84 CTSK (0.53) CTSKCTSSHSD17B10KMT2AHCRTR2
SCHEMBL4041749 0.84 CTSK (0.53) CTSKCTSSHSD17B10KMT2AHCRTR2

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 4 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-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

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 2/4885CHRNB2 3423/4885CHRNA7 1466/4885

“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.