SCHEMBL4041977

SCHEMBL4041977

COc1ccc(CC(NC(=O)c2ccc(C(C)(C)C)cc2)C(=O)N2CCC3C2C(=O)CN3C(=O)c2ccccn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.61
CTSS P25774 3/20 0.46
USP30 Q70CQ3 1/20 0.42
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
CTSL P07711 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
CDK5 Q00535 1/20 0.39
PAX8 Q06710 1/20 0.39
CDK5R1 Q15078 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 2/20 0.38
HTRA1 Q92743 4/20 0.38
ACE P12821 1/20 0.38
MEN1 O00255 1/20 0.37
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL4038798 0.92 CTSK (0.63) CTSKCTSSPLA2G1BATG4BCTSL
SCHEMBL4040724 0.91 CTSK (0.62) CTSKCTSSUSP30PLA2G1BATG4B
SCHEMBL4041845 0.88 CTSK (0.50) CTSKCTSSUSP30NPC1RAB9A
SCHEMBL4043478 0.88 CTSK (0.64) CTSKCTSSCTSLNPC1RAB9A
SCHEMBL4040591 0.88 CTSK (0.53) CTSKCTSSCTSLNPC1RAB9A
SCHEMBL4216273 0.87 CTSK (0.79) CTSKCTSSPLA2G1BATG4BCTSL
SCHEMBL4038823 0.87 CTSK (0.79) CTSKCTSSPLA2G1BATG4BCTSL
SCHEMBL4216270 0.87 CTSK (0.79) CTSKCTSSPLA2G1BATG4BCTSL
SCHEMBL5941513 0.87 CTSK (0.79) CTSKCTSSPLA2G1BATG4BCTSL
SCHEMBL4045091 0.87 CTSK (0.61) CTSKCTSSPLA2G1BATG4BCTSL

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1284977-B1 THIENODIBENZOAZULENE COMPOUNDS AS TUMOR NECROSIS FACTOR INHIBITORS GLAXOSMITHKLINE ZAGREB (HR) 2009-06-24 EP claimed
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
US-20050171091-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA D.D. (HR) 2005-08-04 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
US-6897211-B2 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-05-24 US claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
US-20030153750-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA FARMACEUTSKA INDUSTRIJA, DIONICKO DRUSTVO 2003-08-14 US claimed
EP-1284977-B1 THIENODIBENZOAZULENE COMPOUNDS AS TUMOR NECROSIS FACTOR INHIBITORS GLAXOSMITHKLINE ZAGREB (HR) 2009-06-24 EP disclosed
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
US-6897211-B2 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-05-24 US 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 (3 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-20030153750-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors TNF, IL1B, IL1A CTSK 3599/4885CTSS 3792/4885USP30 3251/4885
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CTSS 3/4885USP30 2688/4885
US-20050171091-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors TNF, IL1B, IL1A CTSK 3527/4885CTSS 3708/4885USP30 3158/4885

“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.