SCHEMBL530068

SCHEMBL530068

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PTPN1 P18031 2/20 0.42
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 2/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
HSD11B1 P28845 1/20 0.37
THRB P10828 1/20 0.37
MET P08581 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
VCAM1 P19320 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36

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
SCHEMBL530360 0.87 NR1D1 (0.46) NR1D1MEN1KMT2APTPN1TDP1
SCHEMBL526711 0.87 MEN1 (0.49) MEN1KMT2APTPN1TDP1CA1
SCHEMBL10076735 0.87 NR1D1 (0.42) NR1D1MEN1KMT2APTPN1TDP1
SCHEMBL17089907 0.82 NR1D1 (0.42) NR1D1MEN1KMT2APTPN1TDP1
SCHEMBL20089218 0.81 NR1D1 (0.51) NR1D1MEN1KMT2APTPN1TDP1
SCHEMBL530308 0.81 NR1D1 (0.40) NR1D1MEN1KMT2APTPN1MET
SCHEMBL530309 0.79 NR1D1 (0.37) NR1D1MEN1KMT2APTPN1TDP1
SCHEMBL18900249 0.79 PTPN1 (0.40) NR1D1MEN1KMT2APTPN1TDP1
SCHEMBL526531 0.78 NR1D1 (0.38) NR1D1MEN1KMT2APTPN1TDP1
SCHEMBL16558058 0.78 NR1D1 (0.53) NR1D1MEN1KMT2APTPN1CA1

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 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.