SCHEMBL2490848

SCHEMBL2490848

CCOC(=O)c1cc(OCCCC(=O)OC(C)(C)C)cc(C(=O)OCC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYSLTR2 Q9NS75 3/20 0.39
CYSLTR1 Q9Y271 3/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39
MAPT P10636 1/20 0.39
BRD4 O60885 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
PDK2 Q15119 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TNF P01375 1/20 0.36

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
SCHEMBL2488241 0.89 CYP1A2 (0.40) CYP1A2MAPTTDP1L3MBTL1POLB
SCHEMBL1743881 0.81 CA12 (0.50) CYP1A2MAPTBRD4TDP1PDK2
SCHEMBL1743953 0.81 CA12 (0.51) MAPTBRD4TDP1KDM4ENPSR1
SCHEMBL526360 0.80 CA12 (0.49) CYP1A2MAPTBRD4L3MBTL1ALDH1A1
SCHEMBL3641514 0.79 CYP1A2 (0.43) CYP1A2CYSLTR2CYSLTR1MAPTKDM4E
SCHEMBL25364810 0.79 L3MBTL1 (0.53) CYP1A2MAPTTDP1L3MBTL1POLB
SCHEMBL5052123 0.79 CYP1A2 (0.47) CYP1A2MAPTTDP1L3MBTL1POLB
SCHEMBL10077794 0.76 CYP1A2 (0.51) CYP1A2P2RY12MAPTTDP1L3MBTL1
SCHEMBL1744030 0.76 BCHE (0.46) CYP1A2MAPTPDK2KDM4ENPSR1
SCHEMBL1742082 0.76 BCHE (0.46) CYP1A2MAPTPDK2KDM4ENPSR1

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
US-9056914-B2 Anticancer derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2015-06-16 US disclosed
US-20130137659-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-05-30 US disclosed
US-8404678-B2 Cytotoxic agents comprising new tomaymycin derivatives and their therapeutic use SANOFI (FR) 2013-03-26 US disclosed
US-8404678-B2 Cytotoxic agents comprising new tomaymycin derivatives and their therapeutic use SANOFI (FR) 2013-03-26 US disclosed
US-8404678-B2 Cytotoxic agents comprising new tomaymycin derivatives and their therapeutic use SANOFI (FR) 2013-03-26 US disclosed
EP-2170890-B1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI SA (FR) 2011-10-26 EP disclosed
EP-2170890-B1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI SA (FR) 2011-10-26 EP disclosed
US-20100316656-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2010-12-16 US disclosed
US-20100316656-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2010-12-16 US disclosed
US-20100316656-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2010-12-16 US disclosed
EP-2170890-A2 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2010-04-07 EP disclosed
WO-2009016516-A2 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-02-05 WO disclosed
WO-2009016516-A2 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-02-05 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 (2 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-20130137659-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF MCL1, TP53, MYC CYP1A2 1018/4885CYSLTR2 4700/4885CYSLTR1 4699/4885
US-20100316656-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE TOMM34, TOMM70, TOMM40 CYP1A2 3328/4885CYSLTR2 3385/4885CYSLTR1 2996/4885

“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.