SCHEMBL4181150

SCHEMBL4181150

O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.65
CYP1A2 P05177 3/20 0.65
CYP3A4 P08684 3/20 0.65
CYP2C19 P33261 3/20 0.65
ALDH1A1 P00352 3/20 0.65
CYP2D6 P10635 2/20 0.65
CYP2C9 P11712 2/20 0.65
MAPK1 P28482 1/20 0.65
HIF1A Q16665 1/20 0.65
LMNA P02545 3/20 0.59
VCAM1 P19320 1/20 0.57
GUSB P08236 1/20 0.55
SLC12A2 P55011 2/20 0.50
SLC12A5 Q9H2X9 2/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
HSP90AA1 P07900 1/20 0.48
TLR9 Q9NR96 1/20 0.48

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
SCHEMBL29791528 1.00 CYP19A1 (0.65) CYP19A1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL15657199 0.87 LMNA (0.53) CYP19A1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL15660246 0.87 ALDH1A1 (0.62) CYP19A1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL15677250 0.87 LMNA (0.53) CYP19A1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL7207368 0.85 POLB (0.55) CYP19A1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL4504076 0.84 CYP19A1 (0.83) CYP19A1ALDH1A1LMNAVCAM1SLC12A2
SCHEMBL15657633 0.84 LMNA (0.53) CYP19A1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL15660010 0.84 MAPT (0.54) CYP19A1ALDH1A1MAPK1LMNAMAPT
SCHEMBL3641949 0.81 VCAM1 (0.55) CYP19A1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL11216052 0.80 GUSB (0.56) CYP19A1CYP1A2CYP3A4CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105348268-B Substituted carbazole-indoles sulfonate derivatives and its preparation method and application 四川大学 2018-11-16 CN disclosed
CN-105218538-B Substitution coumarin-pyridine derivative, preparing method thereof and application thereof 四川大学 2017-04-26 CN disclosed
CN-105348268-A Substituted carbazole-indole sulfonate derivative, and preparation method therefor and use thereof UNIV SICHUAN 2016-02-24 CN disclosed
CN-105218538-A Tonka bean camphor-pyridine derivate replaced and its production and use UNIV SICHUAN 2016-01-06 CN disclosed
US-9079870-B2 Thiol mediated/activated prodrugs of sulfur dioxide (SO2) having anti-bacterial activity INDIAN INSTITUTE OF SCIENCE EDUCATION AND RESEARCH-PUNE (IN) 2015-07-14 US disclosed
US-9079870-B2 Thiol mediated/activated prodrugs of sulfur dioxide (SO2) having anti-bacterial activity INDIAN INSTITUTE OF SCIENCE EDUCATION AND RESEARCH-PUNE (IN) 2015-07-14 US disclosed
US-9079870-B2 Thiol mediated/activated prodrugs of sulfur dioxide (SO2) having anti-bacterial activity INDIAN INSTITUTE OF SCIENCE EDUCATION AND RESEARCH-PUNE (IN) 2015-07-14 US disclosed
US-20140121211-A1 THIOL MEDIATED/ACTIVATED PRODRUGS OF SULFUR DIOXIDE (SO2) HAVING ANTI-BACTERIAL ACTIVITY INDIAN INSTITUTE OF SCIENCE EDUCATION AND RESEARCH -PUNE (IN) 2014-05-01 US disclosed
US-20140121211-A1 THIOL MEDIATED/ACTIVATED PRODRUGS OF SULFUR DIOXIDE (SO2) HAVING ANTI-BACTERIAL ACTIVITY INDIAN INSTITUTE OF SCIENCE EDUCATION AND RESEARCH -PUNE (IN) 2014-05-01 US disclosed
US-20140121211-A1 THIOL MEDIATED/ACTIVATED PRODRUGS OF SULFUR DIOXIDE (SO2) HAVING ANTI-BACTERIAL ACTIVITY INDIAN INSTITUTE OF SCIENCE EDUCATION AND RESEARCH -PUNE (IN) 2014-05-01 US disclosed
US-20090163697-A1 Multicomponent coupling and glycopeptide synthesis with cyclic thioanhydrides THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-06-25 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 (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-20140121211-A1 THIOL MEDIATED/ACTIVATED PRODRUGS OF SULFUR DIOXIDE (SO2) HAVING ANTI-BACTERIAL ACTIVITY TST, SQOR, MPST CYP19A1 2620/4885CYP1A2 768/4885CYP3A4 239/4885
US-20090163697-A1 Multicomponent coupling and glycopeptide synthesis with cyclic thioanhydrides LNPEP, CLSPN, GALNT14 CYP19A1 4632/4885CYP1A2 4822/4885CYP3A4 4428/4885

“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.