SCHEMBL529655

SCHEMBL529655

CCOC(=O)CC(C)NCCOc1cc(CO)nc(CO)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.40
ALDH1A1 P00352 7/20 0.40
HTT P42858 4/20 0.37
TDP1 Q9NUW8 3/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LTA4H P09960 4/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL14973567 0.85 KDM4E (0.42) KDM4EALDH1A1HTTTDP1MEN1
SCHEMBL531111 0.85 KDM4E (0.38) KDM4EALDH1A1HTTTDP1MEN1
SCHEMBL526828 0.77 LTA4H (0.57) KDM4EALDH1A1SMN1; SMN2LTA4HPOLB
SCHEMBL529656 0.76 KDM4E (0.42) KDM4EALDH1A1HTTTDP1MEN1
SCHEMBL26570652 0.72 MGAM (0.42) KDM4EALDH1A1HTTTDP1GAA
SCHEMBL18900347 0.70 LTA4H (0.46) LTA4H
SCHEMBL526584 0.69 LTA4H (0.52) ALDH1A1HTTKMT2ALTA4HPOLB
SCHEMBL2610731 0.69 HTR1B (0.49) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL3209626 0.68 GAA (0.45) KDM4EALDH1A1TDP1GAAKMT2A
SCHEMBL2491001 0.68 PDE3B (0.47) ALDH1A1HTTKMT2ALTA4H

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 KDM4E 2894/4885ALDH1A1 339/4885HTT 3077/4885

“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.