SCHEMBL14973609

SCHEMBL14973609

O=C(O)CCN(CCO)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
VCAM1 P19320 1/20 0.48
HTT P42858 2/20 0.47
PTPN1 P18031 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
THRB P10828 1/20 0.44
TBXA2R P21731 2/20 0.44
CA12 O43570 1/20 0.43

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
SCHEMBL14973611 1.00 KMT2A (0.49) KMT2AMEN1VCAM1HTTPTPN1
SCHEMBL231935 0.91 VCAM1 (0.56) KMT2AMEN1VCAM1PTPN1CA1
SCHEMBL967857 0.87 VCAM1 (0.52) KMT2AMEN1VCAM1PTPN1CA1
SCHEMBL16154331 0.85 VCAM1 (0.51) KMT2AMEN1VCAM1PTPN1CA1
SCHEMBL17089905 0.84 CA1 (0.45) KMT2AMEN1HTTPTPN1CA1
SCHEMBL530360 0.83 NR1D1 (0.46) KMT2AMEN1VCAM1PTPN1CA1
SCHEMBL526711 0.83 MEN1 (0.49) KMT2AMEN1HTTPTPN1CA1
SCHEMBL4387858 0.82 KMT2A (0.51) KMT2AMEN1VCAM1PTPN1CA1
SCHEMBL13242357 0.82 HTT (0.60) KMT2AMEN1HTTPTPN1CYP2D6
SCHEMBL17089904 0.81 KMT2A (0.46) KMT2AMEN1HTTPTPN1CA1

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 3 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

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 KMT2A 3275/4885MEN1 1049/4885VCAM1 3046/4885

“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.