SCHEMBL4044024

SCHEMBL4044024

CC(C)CC(CC(=O)N1CCOCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.38
POLB P06746 1/20 0.36
CTSK P43235 5/20 0.35
CTSL P07711 3/20 0.35
CTSS P25774 3/20 0.35
KMT2A Q03164 1/20 0.32
CALCRL Q16602 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL4042416 0.92 CTSK (0.35) RENCTSKCTSLCTSSKMT2A
SCHEMBL4044245 0.92 REN (0.35) RENCTSKCTSLCTSSKMT2A
SCHEMBL4043258 0.91 KDM4E (0.39) CTSKKMT2A
SCHEMBL4044115 0.91 CTSK (0.34) RENCTSKCTSLCTSSKMT2A
SCHEMBL4038660 0.89 REN (0.40) RENCTSKCTSLCTSS
SCHEMBL4042797 0.88 CTSK (0.45) RENPOLBCTSKCTSLCTSS
SCHEMBL4039387 0.88 ALDH1A1 (0.41) POLBKMT2A
SCHEMBL4040398 0.88 CTSK (0.33) CTSKCTSLCTSSKMT2ACALCRL
SCHEMBL4043246 0.86 POLB (0.36) RENPOLBCTSKCTSLCTSS
SCHEMBL4045641 0.86 CTSK (0.32) CTSKCTSLCTSSKMT2ACALCRL

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-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

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 REN 1289/4885POLB 3780/4885CTSK 2/4885

“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.