SCHEMBL2492660

SCHEMBL2492660

COC(=O)CCOCCOCCOCCOc1ccnc(C(O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.46
PDE3B Q13370 6/20 0.37
PDE3A Q14432 6/20 0.37
P2RY12 Q9H244 5/20 0.37
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 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 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SYK P43405 1/20 0.35
TSHR P16473 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
LTA4H P09960 1/20 0.34

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
SCHEMBL2491004 0.88 PDE3B (0.46) DYRK1APDE3BPDE3AP2RY12LMNA
SCHEMBL2490562 0.86 CNR2 (0.37) DYRK1APDE3BPDE3ALMNAMAPT
SCHEMBL526585 0.84 LTA4H (0.51) DYRK1APDE3BPDE3AP2RY12KMT2A
SCHEMBL525627 0.83 DYRK1A (0.37) DYRK1APDE3BPDE3AP2RY12LMNA
SCHEMBL14973529 0.82 LTA4H (0.39) DYRK1APDE3BPDE3AP2RY12PDE2A
SCHEMBL2491624 0.74 PDE4A (0.38) PDE3BPDE3AP2RY12LMNAALDH1A1
SCHEMBL525935 0.74 PDE3B (0.39) DYRK1APDE3BPDE3AP2RY12MAPT
SCHEMBL14973642 0.74 FFAR4 (0.35) PDE3BPDE3AP2RY12PDE2AKDM4E
SCHEMBL14506908 0.73 RAB9A (0.57) LMNAMAPTALDH1A1KMT2AKDM4E
SCHEMBL525916 0.73 PDE3B (0.39) PDE3BPDE3AP2RY12KDM4ELTA4H

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 5 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
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
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

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.