SCHEMBL4037757

SCHEMBL4037757

CC(C)CC(NC(=O)c1ccc(N2CCOCC2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.63
CTSS P25774 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
PLOD2 O00469 1/20 0.40
PLOD3 O60568 1/20 0.40
PLOD1 Q02809 1/20 0.40
PREP P48147 2/20 0.39
FAP Q12884 1/20 0.39
CTSV O60911 2/20 0.38
CTSL P07711 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL4039983 0.95 CTSK (0.66) CTSKCTSSSMN1; SMN2TP53PREP
SCHEMBL4042665 0.93 CTSK (0.63) CTSKCTSSCTSL
SCHEMBL4040263 0.92 CTSK (0.62) CTSKCTSSSMN1; SMN2PREPFAP
SCHEMBL4043454 0.91 CTSK (0.64) CTSKCTSSPREPFAPCTSL
SCHEMBL4041612 0.91 CTSK (0.76) CTSKCTSSSMN1; SMN2CTSVCTSL
SCHEMBL4361906 0.91 CTSK (0.76) CTSKCTSSSMN1; SMN2CTSVCTSL
SCHEMBL5941884 0.91 CTSK (0.76) CTSKCTSSSMN1; SMN2CTSVCTSL
SCHEMBL4361912 0.91 CTSK (0.76) CTSKCTSSSMN1; SMN2CTSVCTSL
SCHEMBL4045376 0.89 CTSK (0.53) CTSKCTSSSMN1; SMN2TP53
SCHEMBL4043042 0.88 CTSK (0.68) CTSKCTSSPREPFAPCTSV

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 2/4885CTSS 3/4885SMN1; SMN2 3546/4885

“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.