SCHEMBL531111

SCHEMBL531111

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.35
MLYCD O95822 7/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32

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 0.84 KDM4E (0.42) KDM4EHTTMEN1GAAKMT2A
SCHEMBL530612 0.80 LTA4H (0.40) KDM4EMEN1GAAKMT2AALDH1A1
SCHEMBL526413 0.78 CA12 (0.53) KDM4EGAAALDH1A1CNR2CA12
SCHEMBL14986214 0.78 LTA4H (0.40) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2491623 0.77 HDAC8 (0.38) CNR1CNR2
SCHEMBL1742620 0.77 CA12 (0.54) MEN1GAAKMT2ACA12CA1
SCHEMBL531112 0.76 KDM4E (0.39) KDM4EHTTMEN1GAAKMT2A
SCHEMBL2490558 0.74 STING1 (0.36) KDM4EALDH1A1CNR1CNR2TDP1
SCHEMBL1744467 0.73 CA12 (0.55) MEN1GAAKMT2ACA12CA1
SCHEMBL1742929 0.71 BCHE (0.48) CNR2CA12CA1CA2CA9

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 2894/4885HTT 3077/4885MEN1 1049/4885

“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.