Sugi Predict

Sugi Predict / Compounds / SCHEMBL714494

SCHEMBL714494

SCHEMBL714494

CN(C)c1cccc2c(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3)cccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 4/20 0.57
▸ CA2 P00918 2/20 0.49
▸ HTT P42858 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CA1 P00915 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ F2 P00734 2/20 0.43
▸ PRSS1 P07477 2/20 0.43
▸ PRSS2 P07478 2/20 0.43
▸ PRSS3 P35030 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ EDNRA P25101 3/20 0.42
▸ MAOA P21397 1/20 0.41

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
SCHEMBL12716467 0.83 TYMS (0.49) TYMSCA2HTTCYP1A2CYP2C19
SCHEMBL711797 0.83 CA2 (0.58) TYMSCA2HTTCYP1A2CYP2C19
SCHEMBL22238736 0.82 TYMS (0.51) TYMSCA2HTTCYP1A2CYP2C19
SCHEMBL714171 0.81 CA2 (0.52) TYMSCA2HTTCYP1A2CYP2C19
SCHEMBL16610066 0.80 TYMS (0.53) TYMSCA2HTTCYP1A2CYP2C19
SCHEMBL6801116 0.77 FBP1 (0.52) TYMSCA2MAOA
SCHEMBL6801120 0.77 FBP1 (0.52) TYMSCA2MAOA
SCHEMBL10064159 0.76 CYP1A2 (0.49) TYMSCA2HTTCYP1A2CYP2C19
SCHEMBL4553091 0.75 TYMS (0.47) TYMSCA2HTTCYP1A2CYP2C19
SCHEMBL9674671 0.75 CA2 (0.63) CA2HTTCYP1A2CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124416-B2 Selective and sensitive detection of mercuric ion by novel dansyl-appended calix[4] arene molecules, via fluorescence quenching INDIAN INSTITUTE OF TECHNOLOGY DELHI (IN) 2012-02-28 — — US disclosed
US-8124416-B2 Selective and sensitive detection of mercuric ion by novel dansyl-appended calix[4] arene molecules, via fluorescence quenching INDIAN INSTITUTE OF TECHNOLOGY DELHI (IN) 2012-02-28 — — US disclosed
US-8124416-B2 Selective and sensitive detection of mercuric ion by novel dansyl-appended calix[4] arene molecules, via fluorescence quenching INDIAN INSTITUTE OF TECHNOLOGY DELHI (IN) 2012-02-28 — — US disclosed
US-20110117657-A1 SELECTIVE AND SENSITIVE DETECTION OF MERCURIC ION BY NOVEL DANSYL-APPENDED CALIX[4]ARENE MOLECULES, VIA FLUORESCENCE QUENCHING EMPIRE TECHNOLOGY DEVELOPMENT LLC 2011-05-19 — — US disclosed
US-20110117657-A1 SELECTIVE AND SENSITIVE DETECTION OF MERCURIC ION BY NOVEL DANSYL-APPENDED CALIX[4]ARENE MOLECULES, VIA FLUORESCENCE QUENCHING EMPIRE TECHNOLOGY DEVELOPMENT LLC 2011-05-19 — — US disclosed
US-20110117657-A1 SELECTIVE AND SENSITIVE DETECTION OF MERCURIC ION BY NOVEL DANSYL-APPENDED CALIX[4]ARENE MOLECULES, VIA FLUORESCENCE QUENCHING EMPIRE TECHNOLOGY DEVELOPMENT LLC 2011-05-19 — — 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 (1 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-20110117657-A1 SELECTIVE AND SENSITIVE DETECTION OF MERCURIC ION BY NOVEL DANSYL-APPENDED CALIX[4]ARENE MOLECULES, VIA FLUORESCENCE QUENCHING CALR, CALD1, CALU TYMS 4835/4885CA2 30/4885HTT 1704/4885

“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.