SCHEMBL4046827

SCHEMBL4046827

CC(C)CC(NC(=O)c1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.48
HPGDS O60760 2/20 0.41
CTSS P25774 6/20 0.40
CTSB P07858 1/20 0.40
CHRNA7 P36544 3/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
ACKR3 P25106 1/20 0.36
KMT2A Q03164 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
MAP4K4 O95819 1/20 0.36
PRKACA P17612 1/20 0.36
GRK5 P34947 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CDK8 P49336 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
RPS6KA3 P51812 1/20 0.36
PRKX P51817 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 0.95 CTSK (0.51) CTSKHPGDSCTSSCTSBCHRNA7
SCHEMBL4045201 0.92 CTSK (0.46) CTSKHPGDSCTSSCTSBCHRNA7
SCHEMBL4046318 0.90 CTSK (0.47) CTSKHPGDSCTSSCTSBCHRNA7
SCHEMBL4042035 0.89 CTSK (0.47) CTSKHPGDSCTSSCTSBCTSL
SCHEMBL4050222 0.88 CTSK (0.43) CTSKCTSSCTSBKMT2ACTSL
SCHEMBL4041636 0.88 CTSK (0.47) CTSKHPGDSCTSSCTSBCHRNA7
SCHEMBL4043170 0.86 CTSK (0.63) CTSKHPGDSCTSSCTSBCHRNA7
SCHEMBL4046272 0.85 CTSK (0.46) CTSKHPGDSCTSSCTSBCHRNA7
SCHEMBL4039438 0.84 CTSK (0.51) CTSKHPGDSCTSSCTSBKMT2A
SCHEMBL4039384 0.84 CTSK (0.56) CTSKHPGDSCTSSCTSBCHRNA7

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 6 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
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 2/4885HPGDS 603/4885CTSS 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.