SCHEMBL20547997

SCHEMBL20547997

O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
MAPK1 P28482 2/20 0.58
HIF1A Q16665 2/20 0.58
ALDH1A1 P00352 2/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
GUSB P08236 1/20 0.49
HTT P42858 1/20 0.48
GPR17 Q13304 1/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MLNR O43193 1/20 0.44
MMP1 P03956 1/20 0.44

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
SCHEMBL30691804 1.00 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C9MAPK1HIF1A
SCHEMBL28741180 0.87 ALDH1A1 (0.47) CYP1A2CYP3A4CYP2C9MAPK1HIF1A
SCHEMBL29274922 0.86 ALDH1A1 (0.46) CYP1A2CYP3A4CYP2C9MAPK1HIF1A
SCHEMBL29577728 0.86 ALPL (0.49) CYP1A2CYP3A4CYP2C9MAPK1HIF1A
SCHEMBL28535628 0.86 ALPL (0.46) CYP1A2CYP3A4CYP2C9MAPK1HIF1A
SCHEMBL28027812 0.84 ALDH1A1 (0.44) CYP1A2CYP3A4CYP2C9MAPK1HIF1A
SCHEMBL9986844 0.83 ALDH1A1 (0.53) CYP1A2CYP3A4CYP2C9MAPK1HIF1A
SCHEMBL28925192 0.83 ALDH1A1 (0.44) CYP1A2CYP3A4CYP2C9MAPK1HIF1A
SCHEMBL11543322 0.83 KMT2A (0.59) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL28571516 0.82 ALDH1A1 (0.49) CYP1A2CYP3A4CYP2C9MAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022131557-A1 PROBE FOR HYDROGEN SULFIDE DETECTION, METHOD FOR MANUFACTURING SAME, AND COMPOSITION FOR HYDROGEN SULFIDE DETECTION, COMPRISING SAME 한국해양과학기술원 2022-06-23 WO claimed
CN-109096317-A A kind of new bio mercaptan fluorescence probe and its preparation method and application 贺州学院 2018-12-28 CN claimed
US-11852633-B2 Compositions and methods for analyzing cysteine GEORGETOWN UNIVERSITY (US) 2023-12-26 US disclosed
US-20230160903-A1 COMPOSITIONS AND METHODS FOR ANALYZING CYSTEINE NATIONAL SCIENCE FOUNDATION 2023-05-25 US disclosed
US-20230160903-A1 COMPOSITIONS AND METHODS FOR ANALYZING CYSTEINE NATIONAL SCIENCE FOUNDATION 2023-05-25 US disclosed
US-20230160903-A1 COMPOSITIONS AND METHODS FOR ANALYZING CYSTEINE NATIONAL SCIENCE FOUNDATION 2023-05-25 US disclosed
US-11635436-B2 Compositions and methods for analyzing cysteine GEORGETOWN UNIVERSITY (US) 2023-04-25 US disclosed
WO-2022131557-A1 PROBE FOR HYDROGEN SULFIDE DETECTION, METHOD FOR MANUFACTURING SAME, AND COMPOSITION FOR HYDROGEN SULFIDE DETECTION, COMPRISING SAME 한국해양과학기술원 2022-06-23 WO disclosed
US-20200150128-A1 COMPOSITIONS AND METHODS FOR ANALYZING CYSTEINE NATIONAL SCIENCE FOUNDATION 2020-05-14 US disclosed
US-20200150128-A1 COMPOSITIONS AND METHODS FOR ANALYZING CYSTEINE NATIONAL SCIENCE FOUNDATION 2020-05-14 US disclosed
CN-109096317-A A kind of new bio mercaptan fluorescence probe and its preparation method and application 贺州学院 2018-12-28 CN disclosed
WO-2018200498-A1 COMPOSITIONS AND METHODS FOR ANALYZING CYSTEINE GEORGETOWN UNIVERSITY (US) 2018-11-01 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 (4 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-11852633-B2 Compositions and methods for analyzing cysteine CTH, CBS, GCLC CYP1A2 3573/4885CYP3A4 3068/4885CYP2C9 1719/4885
US-11635436-B2 Compositions and methods for analyzing cysteine CTH, CBS, GCLC CYP1A2 3573/4885CYP3A4 3068/4885CYP2C9 1719/4885
US-20200150128-A1 COMPOSITIONS AND METHODS FOR ANALYZING CYSTEINE CTH, CBS, GCLC CYP1A2 3573/4885CYP3A4 3068/4885CYP2C9 1719/4885
US-20230160903-A1 COMPOSITIONS AND METHODS FOR ANALYZING CYSTEINE CTH, CBS, GCLC CYP1A2 3573/4885CYP3A4 3068/4885CYP2C9 1719/4885

“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.