SCHEMBL525997

SCHEMBL525997

O=[N+]([O-])c1ccccc1S(=O)(=O)NCCOc1ccnc(C(O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TRPV4 Q9HBA0 1/20 0.46
CYP19A1 P11511 2/20 0.46
NPY5R Q15761 2/20 0.45
HTT P42858 1/20 0.44
F2 P00734 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
ALKBH2 Q6NS38 1/20 0.43
ALKBH5 Q6P6C2 1/20 0.43
ALKBH3 Q96Q83 1/20 0.43
FTO Q9C0B1 1/20 0.43
NPY1R P25929 1/20 0.42

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
SCHEMBL526053 0.80 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1TRPV4CYP19A1
SCHEMBL5636629 0.80 KMT2A (0.64) ALDH1A1KMT2AMEN1CYP19A1NPY5R
SCHEMBL14973692 0.78 ALKBH2 (0.39) ALDH1A1KMT2AMEN1HTTF2
SCHEMBL525996 0.78 KMT2A (0.51) ALDH1A1KMT2AMEN1TRPV4CYP19A1
SCHEMBL526223 0.76 TDP1 (0.40) ALDH1A1KMT2AMEN1F2ALKBH2
SCHEMBL38654855 0.75 KMT2A (0.67) ALDH1A1KMT2AMEN1CYP19A1NPY5R
SCHEMBL526846 0.73 HIF1A (0.47) ALDH1A1KMT2AMEN1CYP19A1NPY5R
SCHEMBL454129 0.73 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1CYP19A1NPY5R
SCHEMBL530309 0.73 NR1D1 (0.37) ALDH1A1KMT2AMEN1F2
SCHEMBL4389696 0.73 KMT2A (0.71) ALDH1A1KMT2AMEN1CYP19A1NPY5R

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 ALDH1A1 339/4885KMT2A 3275/4885MEN1 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.