SCHEMBL5284994

SCHEMBL5284994

O=S(=O)(O)c1cccc2c(I)cccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.60
CYP1A2 P05177 4/20 0.46
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45
MTOR P42345 1/20 0.45
RAB9A P51151 1/20 0.45
ROCK1 Q13464 1/20 0.45
MYLK Q15746 1/20 0.45
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
CDK2 P24941 1/20 0.42
MEN1 O00255 1/20 0.40
NSD2 O96028 1/20 0.40

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
SCHEMBL15151195 0.88 TTR (0.50) TTRCYP1A2TSHRAURKAAURKB
SCHEMBL6242 0.87 TTR (0.75) TTRCYP1A2AURKAAURKBCDK2
SCHEMBL30233642 0.87 TTR (0.75) TTRCYP1A2AURKAAURKBCDK2
SCHEMBL29363198 0.87 TTR (0.75) TTRCYP1A2AURKAAURKBCDK2
SCHEMBL9468242 0.86 TTR (0.48) TTRCYP1A2TSHRAURKAAURKB
SCHEMBL9468252 0.86 TTR (0.48) TTRCYP1A2TSHRAURKAAURKB
Benzenesulfonamide SCHEMBL6672452 0.85 TTR (0.50) TTRCYP1A2TP53CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL25312340 0.84 TTR (0.72) TTRCYP1A2AURKAAURKBCDK2
Hydrochloric Acid SCHEMBL7455908 0.84 TTR (0.72) TTRCYP1A2AURKAAURKBCDK2
SCHEMBL460184 0.84 TTR (0.72) TTRCYP1A2AURKAAURKBCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200323986-A1 HYDROPHOBIC ARENESULFONATE SALTS THERACAINE LLC 2020-10-15 US claimed
EP-3703686-A1 HYDROPHOBIC ARENESULFONATE SALTS Theracaine LLC (US) 2020-09-09 EP claimed
EP-1455777-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 2004-09-15 EP claimed
WO-2003055478-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-10 WO claimed
US-20200323986-A1 HYDROPHOBIC ARENESULFONATE SALTS THERACAINE LLC 2020-10-15 US disclosed
EP-3703686-A1 HYDROPHOBIC ARENESULFONATE SALTS Theracaine LLC (US) 2020-09-09 EP disclosed
EP-2471363-A1 Use of aryl-, heteroaryl- and benzylsulfonamide carboxylic acids, -carboxylic acid esters, -carboxylic acid amides and -carbonitriles and/or its salts for increasing stress tolerance in plants Bayer CropScience AG (DE) 2012-07-04 EP disclosed
EP-1455777-B1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 2007-11-21 EP disclosed
US-20050267152-A1 Gly1 transporter inhibitors and uses thereof in treatment of neurological and neuropsychiatric disorders MDS INC., DOING BUSINESS AS MDS SCIEX (CA) 2005-12-01 US disclosed
EP-1455777-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 2004-09-15 EP disclosed
WO-2003055478-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-10 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-20200323986-A1 HYDROPHOBIC ARENESULFONATE SALTS ARSA, SLC26A3, ABCB11 TTR 1445/4885CYP1A2 1586/4885TP53 947/4885
US-20050267152-A1 Gly1 transporter inhibitors and uses thereof in treatment of neurological and neuropsychiatric disorders SLC1A2, SLC1A1, SLC18A2 TTR 815/4885CYP1A2 797/4885TP53 4615/4885

“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.