SCHEMBL1743929

SCHEMBL1743929

CCOC(=O)c1cc(CCCN2CCN(C(=O)OC(C)(C)C)CC2)cc(C(=O)OCC)n1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.50
ACKR3 P25106 5/20 0.47
SIGMAR1 Q99720 4/20 0.44
ADORA3 P0DMS8 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
OPRM1 P35372 1/20 0.43
GPR4 P46093 1/20 0.42
HRH2 P25021 4/20 0.41
HRH1 P35367 4/20 0.41
KMT5A Q9NQR1 1/20 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
SCHEMBL12161081 0.90 SIGMAR1 (0.42) TLR8ACKR3SIGMAR1ADORA3HTR2A
SCHEMBL2618737 0.87 IDO1 (0.44) ACKR3
SCHEMBL1742604 0.87 ACKR3 (0.51) TLR8ACKR3SIGMAR1ADORA3HTR2A
SCHEMBL1742601 0.83 SIGMAR1 (0.45) TLR8ACKR3SIGMAR1ADORA3HTR2A
SCHEMBL12544672 0.83 GPR4 (0.51) ACKR3GPR4HRH2HRH1
SCHEMBL1742612 0.80 ACKR3 (0.49) TLR8ACKR3SIGMAR1ADORA3HTR2A
SCHEMBL1744445 0.80 ACKR3 (0.39) TLR8ACKR3GPR4
SCHEMBL1744477 0.79 SIGMAR1 (0.50) TLR8ACKR3SIGMAR1ADORA3HTR2A
SCHEMBL1742600 0.78 SIGMAR1 (0.49) TLR8ACKR3SIGMAR1KMT5A
SCHEMBL103380 0.77 ACKR3 (0.50) TLR8ACKR3SIGMAR1ADORA3HTR2A

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-1981889-B1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI SA (FR) 2014-01-15 EP disclosed
US-8163736-B2 Cytotoxic agents comprising new tomaymycin derivatives SANOFI-AVENTIS (FR) 2012-04-24 US disclosed
US-8163736-B2 Cytotoxic agents comprising new tomaymycin derivatives SANOFI-AVENTIS (FR) 2012-04-24 US disclosed
US-8163736-B2 Cytotoxic agents comprising new tomaymycin derivatives SANOFI-AVENTIS (FR) 2012-04-24 US disclosed
EP-2386559-A1 Cytotoxiv agents comprising new tomaymycin derivatives and their therapeutic use SANOFI (FR) 2011-11-16 EP disclosed
US-20110254808-A1 REFLECTIVE TOUCH DISPLAY PANEL AND MANUFACTURING METHOD THEREOF AU OPTRONICS CORPORATION (TW) 2011-10-20 US disclosed
EP-2371827-A1 Cytotoxic agents comprising new tomaymycin derivatives and their therapeutic use SANOFI (FR) 2011-10-05 EP disclosed
US-20090036431-A1 Cytotoxic Agents Comprising New Tomaymycin Derivatives SANOFI-AVENTIS (FR) 2009-02-05 US disclosed
US-20090036431-A1 Cytotoxic Agents Comprising New Tomaymycin Derivatives SANOFI-AVENTIS (FR) 2009-02-05 US disclosed
US-20090036431-A1 Cytotoxic Agents Comprising New Tomaymycin Derivatives SANOFI-AVENTIS (FR) 2009-02-05 US disclosed
EP-1981889-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2008-10-22 EP disclosed
WO-2007085930-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-08-02 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-20090036431-A1 Cytotoxic Agents Comprising New Tomaymycin Derivatives TOMM70, TOMM34, TOMM40 TLR8 3231/4885ACKR3 3016/4885SIGMAR1 2271/4885

“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.