SCHEMBL526828

SCHEMBL526828

CCOC(=O)CCCNCCOc1cc(CO)nc(CO)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.57
CYSLTR2 Q9NS75 2/20 0.43
CYSLTR1 Q9Y271 2/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
P2RY12 Q9H244 1/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TOP2A P11388 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
BRD4 O60885 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL14986214 0.84 LTA4H (0.40) LTA4HSMN1; SMN2CYP1A2CYP2C19KDM4E
SCHEMBL526584 0.81 LTA4H (0.52) LTA4HPDE3BPDE3AP2RY12MAPT
SCHEMBL18900347 0.81 LTA4H (0.46) LTA4HCYSLTR2CYSLTR1PDE3BPDE3A
SCHEMBL2491001 0.77 PDE3B (0.47) LTA4HCYSLTR2CYSLTR1PDE3BPDE3A
SCHEMBL529655 0.77 KDM4E (0.40) LTA4HSMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL530612 0.77 LTA4H (0.40) LTA4HMAPTCYP1A2CYP2C19KDM4E
SCHEMBL526829 0.74 LTA4H (0.55) LTA4HCYSLTR2CYSLTR1PDE3BPDE3A
SCHEMBL525915 0.74 CYSLTR2 (0.40) LTA4HCYSLTR2CYSLTR1PDE3BPDE3A
SCHEMBL8636181 0.73 CYP1A2 (0.59) LTA4HTOP2ACYP1A2CYP2C19CYP3A4
SCHEMBL525934 0.73 CYSLTR2 (0.39) LTA4HCYSLTR2CYSLTR1PDE3BPDE3A

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 8 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
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
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 4377/4885CYSLTR2 4700/4885CYSLTR1 4699/4885

“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.