SCHEMBL526307

SCHEMBL526307

CCOC(=O)CCCN(CCOc1ccnc(C(O)O)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 3/20 0.39
CYSLTR2 Q9NS75 3/20 0.37
CYSLTR1 Q9Y271 3/20 0.37
MEN1 O00255 2/20 0.36
ALOX5 P09917 1/20 0.36
LTA4H P09960 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
F2 P00734 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
P2RY12 Q9H244 1/20 0.35
USP2 O75604 1/20 0.35
MCL1 Q07820 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
SCHEMBL526223 0.88 TDP1 (0.40) ALDH1A1KMT2ATDP1MAPK1MAPT
SCHEMBL14973692 0.87 ALKBH2 (0.39) ALDH1A1KMT2ATDP1MAPK1MAPT
SCHEMBL530309 0.86 NR1D1 (0.37) ALDH1A1KMT2ATDP1MAPTMEN1
SCHEMBL526306 0.83 ALDH1A1 (0.42) ALDH1A1KMT2ATDP1MAPK1MAPT
SCHEMBL10077084 0.74 ALDH1A1 (0.39) ALDH1A1KMT2ATDP1MAPK1MAPT
SCHEMBL526531 0.73 NR1D1 (0.38) ALDH1A1KMT2ATDP1MAPK1MAPT
SCHEMBL525997 0.73 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1F2
SCHEMBL525916 0.71 PDE3B (0.39) CYSLTR2CYSLTR1ALOX5LTA4HKDM4E
SCHEMBL525935 0.71 PDE3B (0.39) MAPTCYSLTR2CYSLTR1ALOX5LTA4H
SCHEMBL526829 0.70 LTA4H (0.55) MAPTCYSLTR2CYSLTR1LTA4HPDE3B

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 3275/4885TDP1 1802/4885

“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.