SCHEMBL4043715

SCHEMBL4043715

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

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.80
CTSS P25774 3/20 0.48
CCR1 P32246 2/20 0.42
NAMPT P43490 1/20 0.41
CTSV O60911 2/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 1/20 0.39
CCKBR P32239 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
TNF P01375 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
SCHEMBL5942432 1.00 CTSK (0.80) CTSKCTSSCCR1NAMPTCTSV
SCHEMBL4218903 1.00 CTSK (0.80) CTSKCTSSCCR1NAMPTCTSV
SCHEMBL4039569 0.93 CTSK (0.69) CTSKCTSSCCR1NAMPTCTSV
SCHEMBL4048208 0.90 CTSK (0.66) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4217341 0.89 CTSK (0.80) CTSKCTSSCCR1CTSVCTSL
SCHEMBL8349501 0.89 CTSK (0.80) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4048023 0.89 CTSK (0.80) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4219737 0.89 CTSK (1.00) CTSKCTSSCCR1CTSVCTSL
SCHEMBL5941346 0.89 CTSK (1.00) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4219738 0.89 CTSK (1.00) CTSKCTSSCCR1CTSVCTSL

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 5 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

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 3/4885CCR1 100/4885

“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.