SCHEMBL525996

SCHEMBL525996

O=[N+]([O-])c1ccccc1S(=O)(=O)NCCOc1cc(CO)nc(CO)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 3/20 0.50
NPY5R Q15761 4/20 0.49
CYP19A1 P11511 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
F2 P00734 1/20 0.46
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.44
TRPV4 Q9HBA0 1/20 0.44
NPY1R P25929 1/20 0.43

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
SCHEMBL5636629 0.82 KMT2A (0.64) KMT2AMEN1ALDH1A1NPY5RCYP19A1
SCHEMBL526846 0.80 HIF1A (0.47) KMT2AMEN1ALDH1A1NPY5RCYP19A1
SCHEMBL525997 0.78 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1NPY5RCYP19A1
SCHEMBL38654855 0.77 KMT2A (0.67) KMT2AMEN1ALDH1A1NPY5RCYP19A1
SCHEMBL10076959 0.77 BDKRB1 (0.40) KMT2AMEN1ALDH1A1F2HTT
SCHEMBL454129 0.76 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1NPY5RCYP19A1
SCHEMBL4389696 0.75 KMT2A (0.71) KMT2AMEN1ALDH1A1NPY5RCYP19A1
SCHEMBL30649118 0.75 KMT2A (0.71) KMT2AMEN1ALDH1A1NPY5RCYP19A1
SCHEMBL3546124 0.75 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1NPY5RCYP19A1
SCHEMBL526222 0.75 MAPT (0.41) KMT2AMEN1ALDH1A1F2LMNA

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 KMT2A 3275/4885MEN1 1049/4885ALDH1A1 339/4885

“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.