SCHEMBL4050846

SCHEMBL4050846

CC(C)CC(NC(=O)c1ccc(N2CCCC2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.64
CTSS P25774 3/20 0.48
CTSV O60911 2/20 0.43
CTSL P07711 2/20 0.43
CCR1 P32246 1/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
GAA P10253 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4042211 0.94 CTSK (0.63) CTSKCTSSCTSLNPC1RAB9A
SCHEMBL4047872 0.94 CTSK (0.61) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4046571 0.94 CTSK (0.60) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4048208 0.90 CTSK (0.66) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4048023 0.89 CTSK (0.80) CTSKCTSSCTSVCTSLCCR1
SCHEMBL8349501 0.89 CTSK (0.80) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4217341 0.89 CTSK (0.80) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4366565 0.89 CTSK (0.80) CTSKCTSSCTSVCTSLCCR1
SCHEMBL5941951 0.89 CTSK (0.80) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4366569 0.89 CTSK (0.80) CTSKCTSSCTSVCTSLCCR1

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 2/4885CTSS 3/4885CTSV 29/4885

“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.