SCHEMBL4566566

SCHEMBL4566566

O=[N+]([O-])Oc1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.54
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PKM P14618 2/20 0.54
HTR6 P50406 2/20 0.54
CA12 O43570 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
IL1RN P18510 1/20 0.53
KEAP1 Q14145 1/20 0.53
ERAP1 Q9NZ08 1/20 0.53
CYP19A1 P11511 1/20 0.52
FFAR4 Q5NUL3 1/20 0.52
HPGD P15428 2/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL4381826 0.84 PGR (0.64) PGRALDH1A1MEN1KMT2APKM
SCHEMBL4662755 0.79 PGR (0.72) PGRALDH1A1MEN1KMT2APKM
SCHEMBL893934 0.78 CA2 (0.71) PGRALDH1A1MEN1KMT2APKM
SCHEMBL9001184 0.78 KEAP1 (0.79) PGRALDH1A1MEN1KMT2APKM
SCHEMBL1471804 0.77 PGR (0.79) PGRALDH1A1MEN1KMT2ACA12
SCHEMBL10294183 0.75 HTR6 (0.55) PGRALDH1A1MEN1KMT2APKM
SCHEMBL2240850 0.75 CYP19A1 (0.65) ALDH1A1MEN1KMT2APKMCA12
SCHEMBL2934579 0.75 PGR (0.55) PGRMEN1KMT2ACA12CA2
SCHEMBL31681417 0.74 CYP19A1 (0.68) PGRALDH1A1PKMLMNASMN1; SMN2
SCHEMBL8013124 0.74 CA2 (0.61) PGRALDH1A1MEN1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670485-A4 TREATMENT OF DISEASES ASSOCIATED WITH THE EGR-1 ENHANCER ELEMENT RESVERLOGIX CORP (CA) 2009-03-11 EP disclosed
US-20070099826-A1 Treatment of diseases associated with the egr-1 enhancer element RESVERLOGIX CORP. (CA) 2007-05-03 US disclosed
CN-1893957-A Nitric oxide donating derivatives for the treatment of cardiovascular disorders RESVERLOGIX CORP (CA) 2007-01-10 CN disclosed
EP-1670484-A1 NITRIC OXIDE DONATING DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISORDERS RESVERLOGIX CORP. (CA) 2006-06-21 EP disclosed
EP-1670485-A1 TREATMENT OF DISEASES ASSOCIATED WITH THE EGR-1 ENHANCER ELEMENT RESVERLOGIX CORP. (CA) 2006-06-21 EP disclosed
WO-2005034960-A1 TREATMENT OF DISEASES ASSOCIATED WITH THE EGR-1 ENHANCER ELEMENT RESVERLOGIX CORP. (CA) 2005-04-21 WO disclosed
US-20050080024-A1 Nitric oxide donating derivatives for the treatment of cardiovascular disorders RESVERLOGIX CORP. (CA) 2005-04-14 US disclosed
US-20050080021-A1 Nitric oxide donating derivatives of stilbenes, polyphenols and flavonoids for the treatment of cardiovascular disorders RESVERLOGIX CORP. (CA) 2005-04-14 US disclosed
WO-2005032559-A1 NITRIC OXIDE DONATING DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISORDERS RESVERLOGIX CORP. (CA) 2005-04-14 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-20050080024-A1 Nitric oxide donating derivatives for the treatment of cardiovascular disorders NOS2, NOS3, NOS1 PGR 2880/4885ALDH1A1 971/4885MEN1 4292/4885
US-20070099826-A1 Treatment of diseases associated with the egr-1 enhancer element TOE1, ATF1, ELF3 PGR 255/4885ALDH1A1 2978/4885MEN1 1522/4885
US-20050080021-A1 Nitric oxide donating derivatives of stilbenes, polyphenols and flavonoids for the treatment of cardiovascular disorders NOS2, NOS1, NOS3 PGR 2577/4885ALDH1A1 983/4885MEN1 3511/4885

“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.