SCHEMBL22396641

SCHEMBL22396641

Cc1c(I)cc(S(=O)(=O)O)cc1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
ING2 Q9H160 1/20 0.40
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA9 Q16790 5/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 4/20 0.34
NT5E P21589 3/20 0.34
HSD17B10 Q99714 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
SNCA P37840 1/20 0.34
CASP6 P55212 3/20 0.33
CA12 O43570 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL1649638 0.83 ING2 (0.52) LCKFYNING2TSHRSMN1; SMN2
SCHEMBL3140050 0.80 LCK (0.44) LCKFYNING2TSHRSMN1; SMN2
SCHEMBL84322 0.75 LCK (0.44) LCKFYNING2TSHRSMN1; SMN2
SCHEMBL4730286 0.74 CA1 (0.61) LCKFYNING2TSHRSMN1; SMN2
SCHEMBL4810216 0.73 NT5E (0.48) LCKFYNING2TSHRSMN1; SMN2
SCHEMBL8367609 0.73 NT5E (0.48) LCKFYNING2TSHRSMN1; SMN2
SCHEMBL5125062 0.73 LCK (0.43) LCKFYNING2TSHRSMN1; SMN2
SCHEMBL8180623 0.73 ING2 (0.42) LCKFYNING2TSHRSMN1; SMN2
SCHEMBL219222 0.73 LCK (0.57) LCKFYNING2TSHRSMN1; SMN2
SCHEMBL8162990 0.72 LCK (0.46) LCKFYNING2TSHRSMN1; SMN2

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 4 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
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

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-20200323986-A1 HYDROPHOBIC ARENESULFONATE SALTS ARSA, SLC26A3, ABCB11 LCK 2201/4885FYN 1557/4885ING2 2446/4885

“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.