SCHEMBL21990522

SCHEMBL21990522

C=Cc1ccc(S(=O)(=O)O)cc1.CCCCCCCCN

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.62
▸ S1PR3 Q99500 1/20 0.39
▸ CA2 P00918 3/20 0.39
▸ DNM1 Q05193 8/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ GHSR Q92847 1/20 0.37
▸ NT5E P21589 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA4 P22748 1/20 0.36

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
Octadecylamine SCHEMBL9548499 1.00 TDP1 (0.62) TDP1S1PR3CA2DNM1ALDH1A1
SCHEMBL21990592 0.84 TDP1 (0.60) TDP1S1PR3CA2CA12CA1
Tetrabuthylammonium SCHEMBL7765608 0.84 TDP1 (0.64) TDP1S1PR3CA2ALDH1A1TSHR
SCHEMBL11786735 0.81 MCHR1 (0.49) TDP1S1PR3CA2DNM1ALDH1A1
Octadecylamine SCHEMBL28750204 0.81 MCHR1 (0.49) TDP1S1PR3CA2DNM1ALDH1A1
Hexadecylamine SCHEMBL9058486 0.81 MCHR1 (0.49) TDP1S1PR3CA2DNM1ALDH1A1
SCHEMBL6910871 0.81 MCHR1 (0.49) TDP1S1PR3CA2DNM1ALDH1A1
Decylamine SCHEMBL29134163 0.81 MCHR1 (0.49) TDP1S1PR3CA2DNM1ALDH1A1
Dodecylamine SCHEMBL28101896 0.81 MCHR1 (0.49) TDP1S1PR3CA2DNM1ALDH1A1
Monoethanolamine SCHEMBL11126568 0.81 TDP1 (0.75) TDP1CA2ALDH1A1TSHRNT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11459410-B2 High-purity amphipathic arylsulfonic acid amine salt vinyl monomer and copolymer thereof TOSOH FINECHEM CORPORATION (JP) 2022-10-04 — — US disclosed
CN-110997631-B High purity amphiphilic arylsulfonic acid amine salt vinyl monomers and (co) polymers thereof 东曹精细化工株式会社 2022-07-15 — — CN disclosed
EP-3666753-A1 HIGH-PURITY AMPHIPATHIC ARYLSULFONIC ACID AMINE SALT VINYL MONOMER AND COPOLYMER THEREOF Tosoh Finechem Corporation (JP) 2020-06-17 — — EP disclosed
US-20200172643-A1 HIGH-PURITY AMPHIPATHIC ARYLSULFONIC ACID AMINE SALT VINYL MONOMER AND COPOLYMER THEREOF TOSOH FINECHEM CORPORATION (JP) 2020-06-04 — — US disclosed
CN-110997631-A High purity amphiphilic arylsulfonic acid amine salt vinyl monomers and (co) polymers thereof 东曹精细化工株式会社 2020-04-10 — — CN 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-11459410-B2 High-purity amphipathic arylsulfonic acid amine salt vinyl monomer and copolymer thereof SLC7A1, ARSA, STS TDP1 3230/4885S1PR3 676/4885CA2 2972/4885
US-20200172643-A1 HIGH-PURITY AMPHIPATHIC ARYLSULFONIC ACID AMINE SALT VINYL MONOMER AND COPOLYMER THEREOF SLC7A1, ARSA, STS TDP1 3230/4885S1PR3 676/4885CA2 2972/4885

“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.

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