SCHEMBL2492655

SCHEMBL2492655

COC(=O)CCOCCOCCOCCOc1cc(CO)nc(CO)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.39
PDE3B Q13370 7/20 0.37
PDE3A Q14432 7/20 0.37
P2RY12 Q9H244 6/20 0.37
MAPT P10636 4/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE2A O00408 2/20 0.36
TSHR P16473 2/20 0.35
KDM4E B2RXH2 3/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LTA4H P09960 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LTB4R Q15722 1/20 0.33

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
SCHEMBL2491001 0.87 PDE3B (0.47) PDE3BPDE3AP2RY12MAPTALDH1A1
SCHEMBL2490558 0.85 STING1 (0.36) ALDH1A1LMNAKDM4EPOLBTDP1
SCHEMBL3417582 0.82 MAPT (0.38) DYRK1AMAPTALDH1A1LMNAHTT
SCHEMBL13008103 0.82 DYRK1A (0.37) DYRK1APDE3BPDE3AP2RY12MAPT
SCHEMBL526584 0.82 LTA4H (0.52) PDE3BPDE3AP2RY12MAPTALDH1A1
SCHEMBL525626 0.81 PDE3B (0.34) DYRK1APDE3BPDE3AP2RY12ALDH1A1
SCHEMBL14973527 0.81 PDE3B (0.38) DYRK1APDE3BPDE3AP2RY12PDE2A
SCHEMBL12545033 0.76 CNR1 (0.34) MAPTALDH1A1KMT2AKDM4EHPGD
SCHEMBL2610805 0.75 NCF1 (0.38) MAPTLMNAKDM4ETDP1SMN1; SMN2
SCHEMBL2610811 0.75 NCF1 (0.38) MAPTLMNAKDM4ETDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20100316656-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE TOMM34, TOMM70, TOMM40 DYRK1A 3660/4885PDE3B 4130/4885PDE3A 4150/4885

“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.