SCHEMBL526245

SCHEMBL526245

COCCOCCOCCN(CCOc1cc(COS(C)(=O)=O)nc(COS(C)(=O)=O)c1)CCC(=O)OC

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.32
CA1 P00915 2/20 0.31
PDE3B Q13370 5/20 0.31
PDE3A Q14432 5/20 0.31
P2RY12 Q9H244 4/20 0.31
DYRK1A Q13627 1/20 0.31
LTA4H P09960 2/20 0.30
PDE2A O00408 1/20 0.30

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
SCHEMBL16770360 0.87 CYSLTR2 (0.33) CA2CA1PDE3BPDE3AP2RY12
SCHEMBL525953 0.86 CYSLTR2 (0.38) CA2CA1PDE3BPDE3AP2RY12
SCHEMBL525626 0.85 PDE3B (0.34) CA2PDE3BPDE3AP2RY12DYRK1A
SCHEMBL18900388 0.85 HPRT1 (0.32) CA2CA1PDE3BPDE3AP2RY12
SCHEMBL13008103 0.84 DYRK1A (0.37) PDE3BPDE3AP2RY12DYRK1APDE2A
SCHEMBL13008114 0.80 PDE3B (0.42) PDE3BPDE3AP2RY12DYRK1APDE2A
SCHEMBL16770358 0.78 GABRA1 (0.34) CA2
SCHEMBL526246 0.73 CA2 (0.32) CA2
SCHEMBL10076750 0.72
SCHEMBL525627 0.71 DYRK1A (0.37) PDE3BPDE3AP2RY12DYRK1ALTA4H

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 CA2 4284/4885CA1 3267/4885PDE3B 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.