SCHEMBL4221341

SCHEMBL4221341

CC(C)C[C@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)[C@@H](N)C1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.71
CTSS P25774 4/20 0.42
CTSV O60911 3/20 0.39
CTSL P07711 3/20 0.39
CACNA1B Q00975 3/20 0.37
CCR1 P32246 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
POLB P06746 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 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
SCHEMBL4221335 1.00 CTSK (0.71) CTSKCTSSCTSVCTSLCACNA1B
SCHEMBL5941412 1.00 CTSK (0.71) CTSKCTSSCTSVCTSLCACNA1B
SCHEMBL4042423 1.00 CTSK (0.71) CTSKCTSSCTSVCTSLCACNA1B
SCHEMBL4039552 0.99 CTSK (0.72) CTSKCTSSCTSVCTSLCACNA1B
SCHEMBL4043707 0.92 CTSK (0.60) CTSKCTSSCTSVCTSLCACNA1B
SCHEMBL4045280 0.91 CTSK (0.61) CTSKCTSSCTSVCTSLCACNA1B
SCHEMBL4037924 0.91 CTSK (0.59) CTSKCTSSCTSVCTSLCACNA1B
SCHEMBL4046015 0.90 CTSK (0.60) CTSKCTSSCTSVCTSLCACNA1B
SCHEMBL5941558 0.90 CTSK (0.78) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4224342 0.90 CTSK (0.78) 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 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 3/4885CTSV 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.