SCHEMBL526531

SCHEMBL526531

CCOC(=O)c1cc(OCCN(CCC(=O)OC(C)(C)C)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc(C(=O)OCC)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 2/20 0.38
MET P08581 1/20 0.37
HIF1A Q16665 1/20 0.36
MAPT P10636 5/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
F2 P00734 1/20 0.35
USP2 O75604 1/20 0.35
USP10 Q14694 1/20 0.34
PTPN1 P18031 2/20 0.34
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL18900250 0.93 NR1D1 (0.35) NR1D1METHIF1AMAPTALDH1A1
SCHEMBL530308 0.85 NR1D1 (0.40) NR1D1METMAPTALDH1A1KMT2A
SCHEMBL530309 0.80 NR1D1 (0.37) NR1D1METMAPTALDH1A1KMT2A
SCHEMBL530068 0.78 NR1D1 (0.43) NR1D1METKMT2AMEN1PTPN1
SCHEMBL526306 0.78 ALDH1A1 (0.42) MAPTALDH1A1KMT2AMEN1F2
SCHEMBL530360 0.78 NR1D1 (0.46) NR1D1METMAPTALDH1A1KMT2A
SCHEMBL10077797 0.77 HIF1A (0.35) NR1D1METHIF1AMAPTALDH1A1
SCHEMBL10076735 0.77 NR1D1 (0.42) NR1D1METKMT2AMEN1PTPN1
SCHEMBL526222 0.76 MAPT (0.41) MAPTALDH1A1KMT2AMEN1F2
SCHEMBL526846 0.76 HIF1A (0.47) HIF1AALDH1A1KMT2AMEN1F2

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 11 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
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 NR1D1 2090/4885MET 352/4885HIF1A 282/4885

“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.