SCHEMBL2491001

SCHEMBL2491001

COC(=O)CCCOc1cc(CO)nc(CO)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.47
PDE3A Q14432 8/20 0.47
P2RY12 Q9H244 7/20 0.47
PDE2A O00408 2/20 0.45
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.42
LTB4R Q15722 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
LTA4H P09960 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37

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
SCHEMBL2492655 0.87 DYRK1A (0.39) PDE3BPDE3AP2RY12PDE2AMAPT
SCHEMBL526584 0.85 LTA4H (0.52) PDE3BPDE3AP2RY12PDE2AMAPT
SCHEMBL2491623 0.84 HDAC8 (0.38) PDE3BPDE3AP2RY12PDE2ACNR1
SCHEMBL12211059 0.81 PDE3B (0.46) PDE3BPDE3AP2RY12MAPTTSHR
SCHEMBL2493222 0.81 MAPT (0.47) PDE3BPDE3AP2RY12PDE2AMAPT
SCHEMBL13008114 0.80 PDE3B (0.42) PDE3BPDE3AP2RY12PDE2AMAPT
SCHEMBL18205335 0.79 PDE3B (0.48) PDE3BPDE3AP2RY12PDE2AMAPT
SCHEMBL14973527 0.79 PDE3B (0.38) PDE3BPDE3AP2RY12PDE2ALTB4R
SCHEMBL526828 0.77 LTA4H (0.57) PDE3BPDE3AP2RY12MAPTTSHR
SCHEMBL525626 0.77 PDE3B (0.34) PDE3BPDE3AP2RY12PDE2AALDH1A1

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 11 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
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 PDE3B 4130/4885PDE3A 4150/4885P2RY12 4532/4885

“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.