SCHEMBL525916

SCHEMBL525916

CCOC(=O)CCCN(CCOCCOCCOC)CCOc1ccnc(C(O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
P2RY12 Q9H244 1/20 0.39
BRD4 O60885 1/20 0.39
CYSLTR2 Q9NS75 3/20 0.38
CYSLTR1 Q9Y271 3/20 0.38
ALOX5 P09917 1/20 0.36
LTA4H P09960 3/20 0.36
CYP2D6 P10635 2/20 0.36
DRD2 P14416 1/20 0.35
KDM4E B2RXH2 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
FAAH O00519 1/20 0.34
MMP13 P45452 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
SCHEMBL525935 0.90 PDE3B (0.39) PDE3BPDE3AP2RY12BRD4CYSLTR2
SCHEMBL525627 0.85 DYRK1A (0.37) PDE3BPDE3AP2RY12LTA4HCYP2D6
SCHEMBL14973529 0.82 LTA4H (0.39) PDE3BPDE3AP2RY12LTA4H
SCHEMBL530478 0.79 PDE3B (0.35) PDE3BPDE3AP2RY12BRD4LTA4H
SCHEMBL14973642 0.79 FFAR4 (0.35) PDE3BPDE3AP2RY12LTA4HKDM4E
SCHEMBL525915 0.79 CYSLTR2 (0.40) PDE3BPDE3AP2RY12BRD4CYSLTR2
SCHEMBL526829 0.76 LTA4H (0.55) PDE3BPDE3AP2RY12BRD4CYSLTR2
SCHEMBL525953 0.74 CYSLTR2 (0.38) PDE3BPDE3AP2RY12BRD4CYSLTR2
SCHEMBL2491004 0.73 PDE3B (0.46) PDE3BPDE3AP2RY12LTA4H
SCHEMBL2492660 0.73 DYRK1A (0.46) PDE3BPDE3AP2RY12LTA4HKDM4E

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 PDE3B 3420/4885PDE3A 3723/4885P2RY12 4733/4885

“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.