SCHEMBL12237253

SCHEMBL12237253

O=[N+]([O-])c1ccc(C(O)CS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
NPC1 O15118 1/20 0.49
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
GLA P06280 1/20 0.45
HSD11B1 P28845 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 2/20 0.42
MITF O75030 1/20 0.42
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL28402748 0.87 HSD11B1 (0.59) ALDH1A1NPC1CA12CA1CA2
SCHEMBL28402747 0.87 HSD11B1 (0.59) ALDH1A1NPC1CA12CA1CA2
SCHEMBL29072722 0.87 HSD11B1 (0.59) ALDH1A1NPC1CA12CA1CA2
SCHEMBL12237256 0.82 KMT2A (0.49) ALDH1A1NPC1CYP1A2CYP2C9KMT2A
SCHEMBL12237257 0.81 HSD11B1 (0.48) ALDH1A1NPC1HSD11B1KMT2ASMN1; SMN2
SCHEMBL12237255 0.81 KMT2A (0.51) ALDH1A1NPC1HSD11B1CYP2C9CYP2C19
SCHEMBL11173507 0.80 HSD11B1 (0.66) ALDH1A1NPC1HSD11B1CYP1A2CYP2C19
SCHEMBL28748814 0.80 HSD11B1 (0.66) ALDH1A1NPC1HSD11B1CYP1A2CYP2C19
SCHEMBL27709018 0.80 ALDH1A1 (0.64) ALDH1A1NPC1CA12CA1CA2
SCHEMBL28726300 0.79 ALDH1A1 (0.62) ALDH1A1NPC1CA12CA1CA2

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 ALDH1A1 701/4885NPC1 1063/4885FLT1 1044/4885
US-20110263502-A1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES ABCB1, ABCB11, DNPEP ALDH1A1 701/4885NPC1 1063/4885FLT1 1044/4885

“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.