SCHEMBL12237258

SCHEMBL12237258

COc1ccc(S(=O)(=O)CC(O)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HPGD P15428 2/20 0.53
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NFE2L2 Q16236 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 2/20 0.45
MMP13 P45452 2/20 0.44
MMP1 P03956 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
F2 P00734 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
SCHEMBL12237260 0.86 KMT2A (0.56) KMT2AMEN1L3MBTL1HPGDPOLB
SCHEMBL29072741 0.86 KMT2A (0.55) KMT2AMEN1L3MBTL1HPGDHTT
SCHEMBL29072732 0.86 KMT2A (0.55) KMT2AMEN1L3MBTL1HPGDHTT
SCHEMBL12237256 0.85 KMT2A (0.49) KMT2AMEN1MAPK1POLBALDH1A1
SCHEMBL12259462 0.83 MMP13 (0.48) KMT2AMEN1L3MBTL1HTTSMN1; SMN2
SCHEMBL12259458 0.80 MMP13 (0.45) KMT2AMEN1L3MBTL1HTTSMN1; SMN2
SCHEMBL9550606 0.79 KMT2A (0.62) KMT2AMEN1L3MBTL1HPGDHTT
SCHEMBL12259812 0.79 MMP13 (0.58) KMT2AMEN1HTTMMP13MMP1
SCHEMBL13567495 0.79 KMT2A (0.50) KMT2AMEN1L3MBTL1HPGDMAPK1
SCHEMBL13567536 0.79 KMT2A (0.53) KMT2AMEN1L3MBTL1HPGDSMN1; SMN2

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-9387254-B2 Prodrugs and drug-macromolecule conjugates having controlled drug release rates PROLYNX LLC (US) 2016-07-12 US disclosed
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-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
US-8680315-B2 Prodrugs and drug-macromolecule conjugates having controlled drug release rates PROLYNX, LLC (US) 2014-03-25 US disclosed
US-20110263502-A1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX, LLC 2011-10-27 US disclosed
US-20110263502-A1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX, LLC 2011-10-27 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 (2 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 3824/4885MEN1 805/4885L3MBTL1 4082/4885
US-20110263502-A1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES ABCB1, ABCB11, DNPEP KMT2A 3824/4885MEN1 805/4885L3MBTL1 4082/4885

“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.