SCHEMBL4038890

SCHEMBL4038890

CC(C)CC(NC(=O)c1ccc(N2CCOCC2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.50
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
CTSS P25774 3/20 0.39
PLOD2 O00469 1/20 0.38
PLOD3 O60568 1/20 0.38
PLOD1 Q02809 1/20 0.38
PREP P48147 2/20 0.37
FAP Q12884 1/20 0.37
CTSV O60911 2/20 0.36
CTSL P07711 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL4041417 0.93 CTSK (0.57) CTSKCTSSCTSL
SCHEMBL4040030 0.92 CTSK (0.41) CTSKSMN1; SMN2TP53CTSSPLOD2
SCHEMBL4041377 0.90 CTSK (0.51) CTSKSMN1; SMN2TP53CTSSCTSL
SCHEMBL4041900 0.90 CTSK (0.54) CTSKCTSSPREPFAPCTSV
SCHEMBL4045315 0.89 CTSK (0.53) CTSKSMN1; SMN2TP53CTSSPREP
SCHEMBL4044028 0.89 CTSK (0.50) CTSKCTSSPREPFAP
SCHEMBL4040987 0.89 CTSK (0.65) CTSKCTSSPREPFAPCTSV
SCHEMBL4043349 0.88 CTSK (0.49) CTSKSMN1; SMN2TP53CTSS
SCHEMBL4040176 0.88 CTSK (0.52) CTSKCTSSPREPFAPCTSL
SCHEMBL4046916 0.88 CTSK (0.65) 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 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 2/4885SMN1; SMN2 3546/4885TP53 1281/4885

“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.