SCHEMBL526222

SCHEMBL526222

COC(=O)CCN(CCOc1cc(CO)nc(CO)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 5/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
F2 P00734 1/20 0.38
SLC10A6 Q3KNW5 1/20 0.38
TXNRD1 Q16881 1/20 0.37
PKM P14618 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
SCHEMBL10076959 0.92 BDKRB1 (0.40) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL530308 0.91 NR1D1 (0.40) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL526306 0.87 ALDH1A1 (0.42) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL526223 0.82 TDP1 (0.40) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL5640330 0.78 KMT2A (0.45) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL526531 0.76 NR1D1 (0.38) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL10076958 0.76 TDP1 (0.36) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL525996 0.75 KMT2A (0.51) ALDH1A1MEN1KMT2ALMNAF2
SCHEMBL20089218 0.74 NR1D1 (0.51) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL530309 0.74 NR1D1 (0.37) MAPTALDH1A1MEN1KMT2ATDP1

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 MAPT 3684/4885ALDH1A1 339/4885MEN1 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.