SCHEMBL4040997

SCHEMBL4040997

CCC(C)C(OC)C(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.71
CTSS P25774 2/20 0.53
CCR1 P32246 1/20 0.39
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
POLB P06746 1/20 0.35
CTSL P07711 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
SCHEMBL4037475 0.93 CTSK (0.73) CTSKCTSSCCR1POLBCTSL
SCHEMBL4044256 0.92 CTSK (0.59) CTSKCTSSCCR1TAS1R3TAS1R1
SCHEMBL4038125 0.90 CTSK (0.58) CTSKCTSSCCR1CTSL
SCHEMBL4047303 0.90 CTSK (0.70) CTSKCTSSCCR1TAS1R3TAS1R1
SCHEMBL4048225 0.90 CTSK (0.73) CTSKCTSSCCR1POLBCTSL
SCHEMBL4042689 0.90 CTSK (0.60) CTSKCTSSCCR1TAS1R3TAS1R1
SCHEMBL4040763 0.89 CTSK (0.72) CTSKCTSSCCR1
SCHEMBL4040161 0.89 CTSK (0.74) CTSKCTSSCCR1TAS1R3TAS1R1
SCHEMBL4045299 0.88 CTSK (0.73) CTSKCTSSCCR1TAS1R3TAS1R1
SCHEMBL4039699 0.88 CTSK (0.56) CTSKCTSSCCR1CTSL

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 11 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-20080085463-A1 PHOTOACTIVE COMPOUNDS AZ ELECTRONICS MATERIALS USA CORP. 2008-04-10 US 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
US-7547501-B2 Photoactive compounds AZ ELECTRONIC MATERIALS USA CORP. (US) 2009-06-16 US disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20080085463-A1 PHOTOACTIVE COMPOUNDS AZ ELECTRONICS MATERIALS USA CORP. 2008-04-10 US 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 3/4885CCR1 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.