SCHEMBL1742929

SCHEMBL1742929

CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOc1cc(CO)nc(CO)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.48
CNR2 P34972 3/20 0.48
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
SUCNR1 Q9BXA5 2/20 0.46
PDK2 Q15119 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
EGFR P00533 1/20 0.39
ITK Q08881 1/20 0.39
ADRB2 P07550 1/20 0.39
HTR1A P08908 1/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL1744457 1.00 BCHE (0.48) BCHECNR2CA12CA1CA2
SCHEMBL526413 0.92 CA12 (0.53) BCHECNR2CA12CA1CA2
SCHEMBL1742620 0.89 CA12 (0.54) CA12CA1CA2CA9SUCNR1
SCHEMBL1744467 0.88 CA12 (0.55) CA12CA1CA2CA9SUCNR1
SCHEMBL29730309 0.83 CA12 (0.50) BCHECNR2CA12CA1CA2
SCHEMBL22393390 0.83 CA12 (0.50) BCHECNR2CA12CA1CA2
SCHEMBL2490558 0.81 STING1 (0.36) BCHECNR2SUCNR1TDP1
SCHEMBL30688723 0.79 CA12 (0.47) CA12CA1CA2CA9SUCNR1
SCHEMBL1744030 0.79 BCHE (0.46) BCHECNR2CA12CA1CA2
SCHEMBL1742082 0.79 BCHE (0.46) BCHECNR2CA12CA1CA2

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 13 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
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 BCHE 2738/4885CNR2 4833/4885CA12 4644/4885

“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.