SCHEMBL586454

SCHEMBL586454

Nc1ccc2ccc3c(S(=O)(=O)Cl)cc(S(=O)(=O)Cl)c4ccc1c2c34

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA6 P23280 2/20 0.31
CA5A P35218 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31
CA14 Q9ULX7 2/20 0.31
CA5B Q9Y2D0 2/20 0.31
SUMO2 P61956 1/20 0.31
SUMO1 P63165 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP2 Q9HC62 1/20 0.31
CA3 P07451 1/20 0.31
HPRT1 P00492 1/20 0.31
NR4A1 P22736 1/20 0.30
ALDH1A1 P00352 4/20 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 0.85 CA1 (0.34) AURKAAURKBCA12CA1CA2
SCHEMBL579933 0.85 CA1 (0.34) AURKAAURKBCA12CA1CA2
SCHEMBL7104929 0.85 TRPV4 (0.34) ALDH1A1HSD17B10CYP1A2THRBHPGD
SCHEMBL11038732 0.81 TRPV4 (0.36) ALDH1A1HSD17B10
SCHEMBL9614361 0.80 ALDH1A1 (0.42) CA1CA2CA9HPRT1ALDH1A1
SCHEMBL580182 0.77 KDM4E (0.37) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL5365218 0.76 ALDH1A1 (0.43) AURKAAURKBCA1CA2CA9
SCHEMBL6280639 0.75 AURKA (0.56) AURKAAURKBSUMO2SUMO1SENP7
SCHEMBL17121328 0.75 AURKA (0.56) AURKAAURKBSUMO2SUMO1SENP7
SCHEMBL866016 0.74 KEAP1 (0.42) HPRT1ALDH1A1HSD17B10CYP2C9CYP1A2

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
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
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-20160033521-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME LIGHTSHIP MEDICAL LIMITED (GB) 2016-02-04 US disclosed
US-9115063-B2 Fluorophore and fluorescent sensor compound containing same LIGHTSHIP MEDICAL LIMITED (GB) 2015-08-25 US disclosed
US-20120156793-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME LIGHTSHIP MEDICAL LIMITED (GB) 2012-06-21 US disclosed
EP-2417102-A2 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME Glysure Ltd (GB) 2012-02-15 EP disclosed
WO-2010116142-A2 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME GLYSURE LTD (GB) 2010-10-14 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 (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-20160033521-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME QRFPR, TRPA1, GPR52 AURKA 1554/4885AURKB 2092/4885CA12 985/4885
US-20120156793-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME QRFPR, TRPA1, GPR52 AURKA 1595/4885AURKB 2184/4885CA12 1079/4885

“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.