SCHEMBL9930261

SCHEMBL9930261

CNc1ccc2ccc3c(S(=O)(=O)N(CC(C)C)CC(C)C)cc(S(=O)(=O)N(CC(C)C)CC(C)C)c4ccc1c2c34

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
TAS2R14 Q9NYV8 1/20 0.35
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RORC P51449 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MMP3 P08254 4/20 0.31
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 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
SCHEMBL586215 0.83 GAA (0.37) GAATAS2R14ALDH1A1NPSR1TDP1
SCHEMBL9929379 0.82 MEN1 (0.41) GAAALDH1A1KDM4EMAPTHPGD
SCHEMBL580182 0.75 KDM4E (0.37) ALDH1A1KDM4EMAPTHPGD
SCHEMBL9929516 0.75
SCHEMBL19999168 0.70 ALDH1A1 (0.47) ALDH1A1NPSR1TDP1KDM4EHDAC6
SCHEMBL6386420 0.67 PKM (0.42) ALDH1A1KDM4EHTTLMNATSHR
SCHEMBL22282381 0.66 GSTO1 (0.42) ALDH1A1KDM4EHTTLMNAHPGD
SCHEMBL587142 0.64 POLB (0.33)
SCHEMBL31683709 0.63 ALDH1A1 (0.59) ALDH1A1TDP1KDM4EHDAC6TSHR
SCHEMBL2317725 0.63 ALDH1A1 (0.59) ALDH1A1TDP1KDM4EHDAC6TSHR

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 8 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-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

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 GAA 1398/4885TAS2R14 144/4885ALDH1A1 483/4885
US-20120156793-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME QRFPR, TRPA1, GPR52 GAA 1385/4885TAS2R14 148/4885ALDH1A1 477/4885

“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.