SCHEMBL15617618

SCHEMBL15617618

CC(O)C(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 2/20 0.51
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CA2 P00918 3/20 0.49
MMP2 P08253 2/20 0.49
ACP3 P15309 1/20 0.49
CA1 P00915 1/20 0.49
MMP1 P03956 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
CA5A P35218 1/20 0.49
F2 P00734 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
DDX3X O00571 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
SCHEMBL15617675 0.85 KMT2A (0.53) KMT2AMEN1CA2MMP2CA1
SCHEMBL15617608 0.83 KMT2A (0.56) KMT2AGAAHTTMEN1HPGD
SCHEMBL12237167 0.81 KMT2A (0.45) KMT2AGAAHTTMEN1HPGD
SCHEMBL19912682 0.80 ALDH1A1 (0.48) KMT2AHPGDCA2CA1CA12
SCHEMBL15617678 0.80 ALDH1A1 (0.48) KMT2AHPGDCA2CA1CA12
SCHEMBL15617619 0.79 ACP3 (0.45) KMT2AMMP2ACP3
SCHEMBL9805877 0.79 KMT2A (0.62) KMT2AGAAHTTMEN1HPGD
SCHEMBL6544644 0.78 KMT2A (0.66) KMT2AGAAHTTMEN1CA2
SCHEMBL15617623 0.78 ACP3 (0.44) KMT2AMEN1HPGDACP3
SCHEMBL15617671 0.76 HSD11B1 (0.48) L3MBTL1MMP2MMP1MMP13

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
US-9387254-B2 Prodrugs and drug-macromolecule conjugates having controlled drug release rates PROLYNX LLC (US) 2016-07-12 US disclosed
US-20140296476-A1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX LLC 2014-10-02 US disclosed
US-8680315-B2 Prodrugs and drug-macromolecule conjugates having controlled drug release rates PROLYNX, LLC (US) 2014-03-25 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-20140296476-A1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES ABCB1, ABCB11, DNPEP KMT2A 3824/4885GAA 254/4885HTT 2484/4885

“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.