SCHEMBL525627

SCHEMBL525627

COCCOCCOCCN(CCOc1ccnc(C(O)O)c1)CCC(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.37
LTA4H P09960 4/20 0.36
SYK P43405 1/20 0.34
PDE3B Q13370 6/20 0.34
PDE3A Q14432 6/20 0.34
P2RY12 Q9H244 5/20 0.34
ALDH1A1 P00352 1/20 0.33
PDE2A O00408 2/20 0.33
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 3/20 0.33
PPARG P37231 1/20 0.32
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
NSD2 O96028 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL525916 0.85 PDE3B (0.39) LTA4HPDE3BPDE3AP2RY12CYP2D6
SCHEMBL14973529 0.84 LTA4H (0.39) DYRK1ALTA4HSYKPDE3BPDE3A
SCHEMBL2492660 0.83 DYRK1A (0.46) DYRK1ALTA4HSYKPDE3BPDE3A
SCHEMBL2491004 0.79 PDE3B (0.46) DYRK1ALTA4HPDE3BPDE3AP2RY12
SCHEMBL14973642 0.77 FFAR4 (0.35) LTA4HPDE3BPDE3AP2RY12PDE2A
SCHEMBL525935 0.77 PDE3B (0.39) DYRK1ALTA4HPDE3BPDE3AP2RY12
SCHEMBL525626 0.76 PDE3B (0.34) DYRK1ALTA4HPDE3BPDE3AP2RY12
SCHEMBL526585 0.75 LTA4H (0.51) DYRK1ALTA4HPDE3BPDE3AP2RY12
SCHEMBL530478 0.75 PDE3B (0.35) LTA4HSYKPDE3BPDE3AP2RY12
SCHEMBL18900388 0.72 HPRT1 (0.32) LTA4HPDE3BPDE3AP2RY12PDE2A

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
EP-2598507-B1 ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2017-05-31 EP disclosed
US-9056914-B2 Anticancer derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2015-06-16 US disclosed
EP-2598507-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-06-05 EP disclosed
US-20130137659-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-05-30 US disclosed
WO-2012014147-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-02 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-20130137659-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF MCL1, TP53, MYC DYRK1A 4526/4885LTA4H 4377/4885SYK 2408/4885

“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.