SCHEMBL2491624

SCHEMBL2491624

CC(C)(C)OC(=O)CCCOc1ccnc(C(O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
PDE3B Q13370 4/20 0.37
PDE3A Q14432 4/20 0.37
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
P2RY12 Q9H244 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
LNPEP Q9UIQ6 1/20 0.34
FPR2 P25090 1/20 0.33
CNR2 P34972 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
SCHEMBL2490562 0.89 CNR2 (0.37) PDE4APDE4BPDE4CPDE4DHDAC8
SCHEMBL530613 0.87 LTA4H (0.40) HDAC8ALDH1A1KDM4EFPR2
SCHEMBL2491004 0.85 PDE3B (0.46) PDE3BPDE3AALDH1A1P2RY12LMNA
SCHEMBL530478 0.81 PDE3B (0.35) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL531112 0.80 KDM4E (0.39) ALDH1A1KDM4ESMN1; SMN2FPR2
SCHEMBL2492660 0.74 DYRK1A (0.46) PDE3BPDE3AALDH1A1KDM4EP2RY12
SCHEMBL21577271 0.74 CHRNB2 (0.51) HDAC8SMN1; SMN2CNR2
SCHEMBL526829 0.74 LTA4H (0.55) PDE3BPDE3ABRD4P2RY12SMN1; SMN2
SCHEMBL526585 0.73 LTA4H (0.51) PDE3BPDE3AKDM4EP2RY12
SCHEMBL16673260 0.73 L3MBTL1 (0.52) ALDH1A1LMNASMN1; 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 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 PDE4A 4446/4885PDE4B 4243/4885PDE4C 3767/4885

“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.