SCHEMBL9948638

SCHEMBL9948638

[CH2]CS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.63
MEN1 O00255 4/20 0.63
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
MMP1 P03956 1/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP13 P45452 1/20 0.54
F2 P00734 2/20 0.50
PRSS1 P07477 2/20 0.50
PRSS2 P07478 2/20 0.50
PRSS3 P35030 2/20 0.50
CYP19A1 P11511 1/20 0.49
PKM P14618 1/20 0.49
ALDH1A1 P00352 4/20 0.49
GAA P10253 1/20 0.48
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.46
CYP1A2 P05177 1/20 0.45

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
SCHEMBL7896686 0.85 KMT2A (0.68) KMT2AMEN1CA1CA2MMP1
SCHEMBL12751034 0.83 KMT2A (0.66) KMT2AMEN1CA1CA2MMP1
SCHEMBL11260836 0.81 KMT2A (0.63) KMT2AMEN1CA1CA2MMP1
SCHEMBL14613962 0.81 KMT2A (0.63) KMT2AMEN1CA1CA2MMP1
SCHEMBL6418254 0.81 KMT2A (0.58) KMT2AMEN1CA1CA2MMP1
SCHEMBL25426560 0.79 KMT2A (0.59) KMT2AMEN1CA1CA2MMP1
SCHEMBL6367042 0.79 KMT2A (0.59) KMT2AMEN1CA1CA2MMP1
SCHEMBL7058489 0.79 KMT2A (0.59) KMT2AMEN1CA1CA2MMP1
SCHEMBL9340103 0.79 KMT2A (0.59) KMT2AMEN1CA1CA2MMP1
SCHEMBL6867838 0.79 KMT2A (0.70) KMT2AMEN1CA1CA2MMP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170002037-A1 CYCLIC NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2017-01-05 US disclosed
US-9365605-B2 Cyclic nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2016-06-14 US disclosed
EP-2900656-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS Sunshine Lake Pharma Co., Ltd. (CN) 2015-08-05 EP disclosed
US-20140303108-A1 CYCLIC NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2014-10-09 US disclosed
US-8772474-B2 Cyclic nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-07-08 US disclosed
EP-2655392-A1 CYCLIC NUCLEOTIDE ANALOGS Alios Biopharma, Inc. (US) 2013-10-30 EP disclosed
US-20120165286-A1 CYCLIC NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-06-28 US disclosed
WO-2012088155-A1 CYCLIC NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-06-28 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 (3 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-20140303108-A1 CYCLIC NUCLEOTIDE ANALOGS NT5C2, NTPCR, PNP KMT2A 3789/4885MEN1 1451/4885CA1 4756/4885
US-20170002037-A1 CYCLIC NUCLEOTIDE ANALOGS NT5C2, NTPCR, PNP KMT2A 3789/4885MEN1 1451/4885CA1 4756/4885
US-20120165286-A1 CYCLIC NUCLEOTIDE ANALOGS NT5C2, NTPCR, PNP KMT2A 3789/4885MEN1 1451/4885CA1 4756/4885

“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.