SCHEMBL525915

SCHEMBL525915

CCOC(=O)CCCN(CCOCCOCCOC)CCOc1cc(CO)nc(CO)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.40
CYSLTR1 Q9Y271 3/20 0.40
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
P2RY12 Q9H244 1/20 0.40
BRD4 O60885 1/20 0.35
TNF P01375 1/20 0.35
LTA4H P09960 2/20 0.34
MMP13 P45452 1/20 0.34
PPARG P37231 1/20 0.34
FFAR1 O14842 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
DRD2 P14416 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
F2 P00734 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
SCHEMBL525934 0.89 CYSLTR2 (0.39) CYSLTR2CYSLTR1PDE3BPDE3AP2RY12
SCHEMBL525953 0.87 CYSLTR2 (0.38) CYSLTR2CYSLTR1PDE3BPDE3AP2RY12
SCHEMBL525626 0.84 PDE3B (0.34) PDE3BPDE3AP2RY12LTA4HPPARG
SCHEMBL18900347 0.82 LTA4H (0.46) CYSLTR2CYSLTR1PDE3BPDE3AP2RY12
SCHEMBL18899637 0.82 CYSLTR2 (0.35) CYSLTR2CYSLTR1PDE3BPDE3AP2RY12
SCHEMBL14973527 0.80 PDE3B (0.38) PDE3BPDE3AP2RY12LTA4HPPARG
SCHEMBL525916 0.79 PDE3B (0.39) CYSLTR2CYSLTR1PDE3BPDE3AP2RY12
SCHEMBL530477 0.77 PDE3B (0.30) PDE3BPDE3AP2RY12
SCHEMBL14973639 0.77 PDE3B (0.34) CYSLTR2CYSLTR1PDE3BPDE3AP2RY12
SCHEMBL16770360 0.74 CYSLTR2 (0.33) CYSLTR2CYSLTR1PDE3BPDE3AP2RY12

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 10 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
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
US-9056914-B2 Anticancer derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2015-06-16 US 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
US-20130137659-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-05-30 US 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 CYSLTR2 4700/4885CYSLTR1 4699/4885PDE3B 3420/4885

“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.