SCHEMBL579933

SCHEMBL579933

Nc1cc(S(=O)(=O)Cl)c2ccc3c(S(=O)(=O)Cl)cc(S(=O)(=O)Cl)c4ccc1c2c43

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
ALDH1A1 P00352 3/20 0.33
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
TRPV4 Q9HBA0 2/20 0.31
HPRT1 P00492 1/20 0.31
GAA P10253 1/20 0.30
NR4A1 P22736 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL29863001 1.00 CA1 (0.34) CA1CA2CA4CA12CA3
SCHEMBL11038732 0.87 TRPV4 (0.36) ALDH1A1TRPV4HSD17B10
SCHEMBL586454 0.85 AURKA (0.32) CA1CA2CA4CA12CA3
SCHEMBL723812 0.82 CA1 (0.44) CA1CA2CA4CA12CA3
SCHEMBL31229289 0.80 AURKA (0.46) ALDH1A1AURKAAURKBCYP1A2CYP2C9
SCHEMBL29384070 0.80 AURKA (0.46) ALDH1A1AURKAAURKBCYP1A2CYP2C9
SCHEMBL338441 0.80 AURKA (0.46) ALDH1A1AURKAAURKBCYP1A2CYP2C9
SCHEMBL592094 0.78 AURKA (0.45) ALDH1A1AURKAAURKBCYP1A2CYP2C9
SCHEMBL29423956 0.78 HSPD1 (0.43) ALDH1A1NR4A1CYP1A2CYP2C9CYP2C19
SCHEMBL592095 0.78 HSPD1 (0.43) ALDH1A1NR4A1CYP1A2CYP2C9CYP2C19

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417102-B1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME LIGHTSHIP MEDICAL LTD (GB) 2016-04-06 EP claimed
US-9115063-B2 Fluorophore and fluorescent sensor compound containing same LIGHTSHIP MEDICAL LIMITED (GB) 2015-08-25 US claimed
US-20120156793-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME LIGHTSHIP MEDICAL LIMITED (GB) 2012-06-21 US claimed
EP-2417102-A2 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME Glysure Ltd (GB) 2012-02-15 EP claimed
WO-2010116142-A2 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME GLYSURE LTD (GB) 2010-10-14 WO claimed
WO-2021110280-A1 AMINOACRIDINE AND AMINOPYRENE DYES AND THEIR USE AS FLUORESCENT TAGS, IN PARTICULAR FOR CARBOHYDRATE ANALYSIS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2021-06-10 WO disclosed
EP-2609426-B1 FLUORESCENCE LABELING REAGENTS AND USES THEREOF TEXAS A & M UNIV SYS (US) 2018-12-19 EP disclosed
US-9896522-B2 Solid phase fluorescence labeling reagents and uses thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2018-02-20 US disclosed
US-9896522-B2 Solid phase fluorescence labeling reagents and uses thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2018-02-20 US disclosed
US-9896522-B2 Solid phase fluorescence labeling reagents and uses thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2018-02-20 US disclosed
EP-3053914-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME LIGHTSHIP MEDICAL LIMITED (GB) 2016-08-10 EP disclosed
EP-2417102-B1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME LIGHTSHIP MEDICAL LTD (GB) 2016-04-06 EP disclosed
US-20130224870-A1 FLUORESCENCE LABELING REAGENTS AND USES THEREOF THE TEXAS A&M UNIVERSITY SYSTEM (US) 2013-08-29 US disclosed
EP-2609426-A2 FLOURESCENCE LABELING REAGENTS AND USES THEREOF The Texas A&M University System (US) 2013-07-03 EP disclosed
US-20130121925-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-16 US disclosed
US-8394357-B2 Optical determination of glucose utilizing boronic acid adducts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-12 US disclosed
WO-2012027717-A2 FLOURESCENCE LABELING REAGENTS AND USES THEREOF THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-03-01 WO disclosed
WO-2012027717-A2 FLOURESCENCE LABELING REAGENTS AND USES THEREOF THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-03-01 WO disclosed
WO-2007067743-A2 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS-II THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-14 WO disclosed
US-5701323-A Dye lasers and organic inclusions for same PURDUE RESEARCH FOUNDATION (US) 1997-12-23 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-20130121925-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS NISCH, FOSB, BLVRB CA1 597/4885CA2 371/4885CA4 119/4885
US-20120156793-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME QRFPR, TRPA1, GPR52 CA1 2776/4885CA2 1195/4885CA4 1327/4885

“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.