SCHEMBL21990583

SCHEMBL21990583

C1CCC(NC2CCCCC2)CC1.C=Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.64
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL25711 0.80 TDP1 (1.00) TDP1KDM4ESMN1; SMN2MAPK1LMNA
SCHEMBL452529 0.80 TDP1 (1.00) TDP1KDM4ESMN1; SMN2MAPK1LMNA
SCHEMBL31126649 0.80 TDP1 (1.00) TDP1KDM4ESMN1; SMN2MAPK1LMNA
SCHEMBL631325 0.80 ALDH1A1 (0.61) SMN1; SMN2LMNAHSD17B10CYP1A2CYP2C19
SCHEMBL21990643 0.79 TDP1 (0.60) TDP1KDM4ESMN1; SMN2LMNAHSD17B10
SCHEMBL2121269 0.78 TDP1 (0.95) TDP1KDM4ESMN1; SMN2MAPK1LMNA
Hydrochloric Acid SCHEMBL8527191 0.78 TDP1 (0.95) TDP1KDM4ESMN1; SMN2MAPK1LMNA
SCHEMBL2198423 0.78 TDP1 (0.95) TDP1KDM4ESMN1; SMN2MAPK1LMNA
Ammonia Solution, Strong SCHEMBL814454 0.78 TDP1 (0.95) TDP1KDM4ESMN1; SMN2MAPK1LMNA
SCHEMBL17476625 0.78 TDP1 (0.95) TDP1KDM4ESMN1; SMN2MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3666753-B1 HIGH-PURITY AMPHIPATHIC ARYLSULFONIC ACID AMINE SALT VINYL MONOMER AND COPOLYMER THEREOF TOSOH FINECHEM CORP (JP) 2024-09-11 EP 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 (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 3230/4885KDM4E 2868/4885RECQL 3996/4885
US-20200172643-A1 HIGH-PURITY AMPHIPATHIC ARYLSULFONIC ACID AMINE SALT VINYL MONOMER AND COPOLYMER THEREOF SLC7A1, ARSA, STS TDP1 3230/4885KDM4E 2868/4885RECQL 3996/4885

“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.