SCHEMBL526829

SCHEMBL526829

CCOC(=O)CCCNCCOc1ccnc(C(O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.55
BRD4 O60885 1/20 0.44
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
P2RY12 Q9H244 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40

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
SCHEMBL526585 0.82 LTA4H (0.51) LTA4HPDE3BPDE3AP2RY12
SCHEMBL529656 0.80 KDM4E (0.42) LTA4HBRD4SMN1; SMN2
SCHEMBL2491004 0.80 PDE3B (0.46) LTA4HPDE3BPDE3AP2RY12MAPT
SCHEMBL525916 0.76 PDE3B (0.39) LTA4HBRD4PDE3BPDE3AP2RY12
SCHEMBL525935 0.75 PDE3B (0.39) LTA4HBRD4PDE3BPDE3AP2RY12
SCHEMBL526828 0.74 LTA4H (0.57) LTA4HBRD4PDE3BPDE3AP2RY12
SCHEMBL2491624 0.74 PDE4A (0.38) BRD4PDE3BPDE3AP2RY12SMN1; SMN2
SCHEMBL2492660 0.72 DYRK1A (0.46) LTA4HPDE3BPDE3AP2RY12MAPT
SCHEMBL8636181 0.70 CYP1A2 (0.59) LTA4H
SCHEMBL14973568 0.70 KDM4E (0.45) SMN1; 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
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 LTA4H 4377/4885BRD4 2688/4885PDE3B 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.