SCHEMBL4043304

SCHEMBL4043304

CC(C)CC(NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.49
GPR132 Q9UNW8 1/20 0.39
AHR P35869 1/20 0.39
CTSS P25774 1/20 0.38
SMYD3 Q9H7B4 2/20 0.37
NAMPT P43490 1/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
EPHX2 P34913 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ACE P12821 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
SCHEMBL4040275 0.93 CTSK (0.40) CTSKGPR132AHRSMYD3NAMPT
SCHEMBL3958840 0.92 CTSK (0.53) CTSKGPR132CTSSSMYD3ACE
SCHEMBL4042580 0.92 CTSK (0.49) CTSKCTSSMMP1MMP3MMP9
SCHEMBL4037353 0.91 CTSK (0.48) CTSKGPR132CTSSSMYD3CHRNB2
SCHEMBL4043635 0.90 CTSK (0.52) CTSKGPR132CTSSACE
SCHEMBL4039854 0.90 CTSK (0.51) CTSKGPR132AHRCTSSNAMPT
SCHEMBL4040613 0.90 CTSK (0.61) CTSKCTSSSMYD3ACE
SCHEMBL4041490 0.90 CTSK (0.51) CTSKCTSSSMYD3ACE
SCHEMBL4037649 0.89 CTSK (0.51) CTSKCTSSSMYD3ACE
SCHEMBL4042674 0.88 CTSK (0.51) CTSKGPR132AHRCTSSEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383490-A4 COMBINATION OF EPOTHILONE ANALOGS AND CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF PROLIFERATIVE DISEASES BRISTOL MYERS SQUIBB CO (US) 2009-03-18 EP claimed
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-1383490-A1 COMBINATION OF EPOTHILONE ANALOGS AND CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF PROLIFERATIVE DISEASES Bristol-Myers Squibb Company (US) 2004-01-28 EP claimed
WO-2002072085-A1 COMBINATION OF EPOTHILONE ANALOGS AND CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF PROLIFERATIVE DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-19 WO claimed
EP-1383490-A4 COMBINATION OF EPOTHILONE ANALOGS AND CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF PROLIFERATIVE DISEASES BRISTOL MYERS SQUIBB CO (US) 2009-03-18 EP disclosed
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
EP-1383490-A1 COMBINATION OF EPOTHILONE ANALOGS AND CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF PROLIFERATIVE DISEASES Bristol-Myers Squibb Company (US) 2004-01-28 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed
WO-2002072085-A1 COMBINATION OF EPOTHILONE ANALOGS AND CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF PROLIFERATIVE DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-19 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 2/4885GPR132 844/4885AHR 1859/4885

“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.