SCHEMBL526846

SCHEMBL526846

CCOC(=O)c1cc(OCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc(C(=O)OCC)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.47
NPY5R Q15761 4/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
F2 P00734 1/20 0.46
ALDH1A1 P00352 4/20 0.45
USP2 O75604 1/20 0.44
CYP19A1 P11511 1/20 0.43
THRB P10828 1/20 0.42
ALKBH2 Q6NS38 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
ALKBH3 Q96Q83 1/20 0.41
FTO Q9C0B1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL525996 0.80 KMT2A (0.51) NPY5RMEN1KMT2AF2ALDH1A1
SCHEMBL18900260 0.79 MAPT (0.40) MEN1KMT2AF2ALDH1A1TDP1
SCHEMBL5636629 0.78 KMT2A (0.64) NPY5RMEN1KMT2AALDH1A1CYP19A1
SCHEMBL526531 0.76 NR1D1 (0.38) HIF1AMEN1KMT2AF2ALDH1A1
SCHEMBL2278690 0.76 KMT2A (0.58) NPY5RMEN1KMT2AALDH1A1CYP19A1
SCHEMBL525997 0.73 ALDH1A1 (0.53) NPY5RMEN1KMT2AF2ALDH1A1
SCHEMBL4644817 0.73 ALDH1A1 (0.56) HIF1AMEN1KMT2AALDH1A1USP2
SCHEMBL29224646 0.73 KMT2A (0.58) NPY5RMEN1KMT2AF2ALDH1A1
SCHEMBL6109028 0.73 ALDH1A1 (0.51) HIF1ANPY5RMEN1KMT2AALDH1A1
SCHEMBL3817262 0.73 ALDH1A1 (0.51) HIF1ANPY5RMEN1KMT2AALDH1A1

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 HIF1A 282/4885NPY5R 4809/4885MEN1 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.