SCHEMBL4040950

SCHEMBL4040950

CC(C)CC(NC(=O)c1ccc(-c2cccs2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccncc1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.65
CTSS P25774 7/20 0.49
HPGDS O60760 1/20 0.41
CTSL P07711 3/20 0.40
CTSB P07858 2/20 0.40

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
SCHEMBL5941876 0.94 CTSK (0.74) CTSKCTSSHPGDSCTSLCTSB
SCHEMBL4371118 0.94 CTSK (0.74) CTSKCTSSHPGDSCTSLCTSB
SCHEMBL4043283 0.94 CTSK (0.74) CTSKCTSSHPGDSCTSLCTSB
SCHEMBL4371113 0.94 CTSK (0.74) CTSKCTSSHPGDSCTSLCTSB
SCHEMBL4040647 0.93 CTSK (0.61) CTSKCTSSHPGDSCTSLCTSB
SCHEMBL4039921 0.91 CTSK (0.62) CTSKCTSSHPGDSCTSLCTSB
SCHEMBL4040840 0.90 CTSK (0.62) CTSKCTSSHPGDSCTSLCTSB
SCHEMBL4040202 0.90 CTSK (0.62) CTSKCTSSHPGDSCTSLCTSB
SCHEMBL4042374 0.90 CTSK (0.59) CTSKCTSSHPGDSCTSLCTSB
SCHEMBL4042616 0.89 CTSK (0.59) CTSKCTSSHPGDSCTSLCTSB

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 26 patents — showing the first 20. 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
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP disclosed
US-7432267-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMAPNY (US) 2008-10-07 US disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1414795-A4 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP disclosed
US-7001911-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US disclosed
US-6992102-B2 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-31 US disclosed
US-20050282813-A1 Fused cyclic modulators of nuclear hormone receptor function SALVATI MARK E 2005-12-22 US disclosed
EP-1463728-A4 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2005-12-21 EP disclosed
US-6670386-B2 For therapy of nuclear hormone receptor-associated conditions, such as age related diseases, for example sarcopenia BRISTOL-MYERS SQUIBB COMPANY 2003-12-30 US disclosed
WO-2003053354-A2 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-06-19 US disclosed
EP-1299385-A2 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2003-04-09 EP disclosed
US-20030055094-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-03-20 US disclosed
WO-2003011824-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-13 WO disclosed
WO-2002000653-A2 FUSED CYCLIC COMPOUNDS AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-03 WO disclosed
US-4336394-A Cyano-ureas, cyano-thioureas and their preparation methods SOCIETE DE RECHERCHES ET DE SNYTHESES ORGAIQUES SA (CH) 1982-06-22 US disclosed
US-4336394-A Cyano-ureas, cyano-thioureas and their preparation methods SOCIETE DE RECHERCHES ET DE SNYTHESES ORGAIQUES SA (CH) 1982-06-22 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 (4 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-20050282813-A1 Fused cyclic modulators of nuclear hormone receptor function NR2C2, NR0B2, NR0B1 CTSK 4266/4885CTSS 4643/4885HPGDS 1289/4885
US-20030055094-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA CTSK 4459/4885CTSS 4269/4885HPGDS 1369/4885
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CTSS 3/4885HPGDS 603/4885
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 CTSK 4137/4885CTSS 4624/4885HPGDS 82/4885

“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.