SCHEMBL10076959

SCHEMBL10076959

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HDAC1 Q13547 1/20 0.38
NPSR1 Q6W5P4 3/20 0.38
PTPN1 P18031 2/20 0.38
LMNA P02545 4/20 0.38
PKM P14618 1/20 0.38
F2 P00734 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
ALKBH2 Q6NS38 1/20 0.37
ALKBH5 Q6P6C2 1/20 0.37
ALKBH3 Q96Q83 1/20 0.37
FTO Q9C0B1 1/20 0.37

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
SCHEMBL526222 0.92 MAPT (0.41) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL530308 0.88 NR1D1 (0.40) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL526306 0.86 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL14973692 0.81 ALKBH2 (0.39) BDKRB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL14973611 0.79 KMT2A (0.49) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL14973609 0.79 KMT2A (0.49) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL17089905 0.79 CA1 (0.45) ALDH1A1MEN1KMT2ANPSR1PTPN1
SCHEMBL526711 0.78 MEN1 (0.49) ALDH1A1MEN1KMT2ANPSR1PTPN1
SCHEMBL525996 0.77 KMT2A (0.51) ALDH1A1MEN1KMT2ALMNAF2
SCHEMBL17089909 0.76 KMT2A (0.46) ALDH1A1MEN1KMT2ANPSR1PTPN1

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 4 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
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 BDKRB1 4298/4885ALDH1A1 339/4885MAPT 3684/4885

“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.