SCHEMBL526223

SCHEMBL526223

COC(=O)CCN(CCOc1ccnc(C(O)O)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 5/20 0.38
MAPT P10636 5/20 0.37
F2 P00734 2/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
POLB P06746 1/20 0.36
SLC10A6 Q3KNW5 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALKBH2 Q6NS38 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
ALKBH3 Q96Q83 1/20 0.35
FTO Q9C0B1 1/20 0.35

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
SCHEMBL14973692 0.92 ALKBH2 (0.39) TDP1ALDH1A1MEN1KMT2AMAPK1
SCHEMBL530309 0.92 NR1D1 (0.37) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL526307 0.88 ALDH1A1 (0.41) TDP1ALDH1A1MEN1KMT2AMAPK1
SCHEMBL526222 0.82 MAPT (0.41) TDP1ALDH1A1MEN1KMT2AMAPK1
SCHEMBL525997 0.76 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ALMNAF2
SCHEMBL5640330 0.76 KMT2A (0.45) TDP1ALDH1A1MEN1KMT2AMAPK1
SCHEMBL530308 0.73 NR1D1 (0.40) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL10076959 0.73 BDKRB1 (0.40) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL10076958 0.72 TDP1 (0.36) TDP1ALDH1A1MEN1KMT2AMAPK1
SCHEMBL20089218 0.72 NR1D1 (0.51) TDP1ALDH1A1MEN1KMT2ALMNA

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 TDP1 1802/4885ALDH1A1 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.