SCHEMBL21990592

SCHEMBL21990592

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.60
▸ MCHR1 Q99705 1/20 0.47
▸ SERPINE1 P05121 1/20 0.42
▸ THRA P10827 2/20 0.39
▸ THRB P10828 2/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ KCNH2 Q12809 2/20 0.38
▸ CACNA1F O60840 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ CACNA1D Q01668 1/20 0.38
▸ CACNA1S Q13698 1/20 0.38
▸ CACNA1C Q13936 1/20 0.38
▸ ICMT O60725 1/20 0.38
▸ ALB P02768 1/20 0.38

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
SCHEMBL847665 0.94 TDP1 (0.64) TDP1MCHR1SERPINE1THRATHRB
SCHEMBL21990522 0.84 TDP1 (0.62) TDP1S1PR3CA2CA12CA1
Octadecylamine SCHEMBL9548499 0.84 TDP1 (0.62) TDP1S1PR3CA2CA12CA1
Tetrabuthylammonium SCHEMBL7765608 0.82 TDP1 (0.64) TDP1S1PR3KCNH2CA2CA1
SCHEMBL593014 0.82 MCHR1 (0.68) TDP1MCHR1SERPINE1THRATHRB
SCHEMBL29163226 0.82 MCHR1 (0.68) TDP1MCHR1SERPINE1THRATHRB
SCHEMBL27266882 0.80 TSHR (0.53) TDP1MCHR1KCNH2DRD3ICMT
Trolamine SCHEMBL3410426 0.80 TDP1 (0.70) TDP1CA2CA12CA1VCAM1
SCHEMBL27165608 0.79 TDP1 (0.64) TDP1S1PR3CA2CA12CA1
SCHEMBL31651451 0.79 THRA (0.56) MCHR1THRATHRBKCNH2SLC6A4

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
US-20250092171-A1 HIGH-PURITY 4-(2-BROMOETHYL)BENZENESULFONIC ACID, HIGH-PURITY STYRENESULFONIC ACID COMPOUND DERIVED THEREFROM, AND POLYMER THEREOF, AND METHODS FOR PRODUCING SAME TOSOH FINECHEM CORPORATION (JP) 2025-03-20 — — US claimed
US-20250092171-A1 HIGH-PURITY 4-(2-BROMOETHYL)BENZENESULFONIC ACID, HIGH-PURITY STYRENESULFONIC ACID COMPOUND DERIVED THEREFROM, AND POLYMER THEREOF, AND METHODS FOR PRODUCING SAME TOSOH FINECHEM CORPORATION (JP) 2025-03-20 — — US disclosed
WO-2023171597-A1 HIGH-PURITY 4-(2-BROMOETHYL)BENZENESULFONIC ACID, HIGH-PURITY STYRENESULFONIC ACIDS DERIVED THEREFROM AND POLYMERS THEREOF, AND METHODS FOR PRODUCING SAME 東ソー・ファインケム株式会社 2023-09-14 — — WO disclosed
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 (3 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 3230/4885MCHR1 1229/4885SERPINE1 4857/4885
US-20200172643-A1 HIGH-PURITY AMPHIPATHIC ARYLSULFONIC ACID AMINE SALT VINYL MONOMER AND COPOLYMER THEREOF SLC7A1, ARSA, STS TDP1 3230/4885MCHR1 1229/4885SERPINE1 4857/4885
US-20250092171-A1 HIGH-PURITY 4-(2-BROMOETHYL)BENZENESULFONIC ACID, HIGH-PURITY STYRENESULFONIC ACID COMPOUND DERIVED THEREFROM, AND POLYMER THEREOF, AND METHODS FOR PRODUCING SAME BRPF1, WEE2, WEE1 TDP1 1046/4885MCHR1 4082/4885SERPINE1 4068/4885

“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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