SCHEMBL530360

SCHEMBL530360

CC(C)(C)OC(=O)CCN(CCO)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
VCAM1 P19320 1/20 0.43
PTPN1 P18031 2/20 0.42
THRB P10828 1/20 0.39
CA1 P00915 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
HSD11B1 P28845 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MET P08581 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL530068 0.87 NR1D1 (0.43) NR1D1MEN1KMT2AVCAM1PTPN1
SCHEMBL10076735 0.86 NR1D1 (0.42) NR1D1MEN1KMT2AVCAM1PTPN1
SCHEMBL20089218 0.85 NR1D1 (0.51) NR1D1MEN1KMT2APTPN1THRB
SCHEMBL231935 0.84 VCAM1 (0.56) MEN1KMT2AVCAM1PTPN1THRB
SCHEMBL16156942 0.84 MEN1 (0.41) NR1D1MEN1KMT2AVCAM1PTPN1
SCHEMBL14973609 0.83 KMT2A (0.49) MEN1KMT2AVCAM1PTPN1THRB
SCHEMBL14973611 0.83 KMT2A (0.49) MEN1KMT2AVCAM1PTPN1THRB
SCHEMBL530308 0.82 NR1D1 (0.40) NR1D1MEN1KMT2APTPN1ALDH1A1
SCHEMBL17089907 0.81 NR1D1 (0.42) NR1D1MEN1KMT2AVCAM1PTPN1
SCHEMBL16558058 0.81 NR1D1 (0.53) NR1D1MEN1KMT2AVCAM1PTPN1

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 12 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
CN-103140491-B Anticancer derivant, its preparation and treatment use thereof 赛诺菲 2016-08-10 CN 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 2090/4885MEN1 1049/4885KMT2A 3275/4885

“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.