SCHEMBL15908246

SCHEMBL15908246

COc1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.83
GAA P10253 2/20 0.70
ACHE P22303 2/20 0.65
RAPGEF4 Q8WZA2 1/20 0.65
HTT P42858 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
BCHE P06276 1/20 0.62
ALDH1A1 P00352 3/20 0.57
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPT P10636 1/20 0.54
HSD11B1 P28845 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
RELA Q04206 1/20 0.52

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
SCHEMBL13665511 1.00 PKM (0.83) PKMGAAACHERAPGEF4HTT
SCHEMBL825670 1.00 PKM (0.83) PKMGAAACHERAPGEF4HTT
SCHEMBL12120846 0.94 HTT (0.73) PKMGAAACHERAPGEF4HTT
SCHEMBL10034461 0.94 HTT (0.73) PKMGAAACHERAPGEF4HTT
SCHEMBL10093716 0.94 HTT (0.73) PKMGAAACHERAPGEF4HTT
SCHEMBL23153428 0.94 PKM (0.73) PKMGAAACHERAPGEF4HTT
SCHEMBL17565752 0.94 HTT (0.73) PKMGAAACHERAPGEF4HTT
SCHEMBL10005507 0.94 PKM (0.73) PKMGAAACHERAPGEF4HTT
SCHEMBL12213201 0.94 HTT (0.73) PKMGAAACHERAPGEF4HTT
SCHEMBL12341711 0.94 PKM (0.73) PKMGAAACHERAPGEF4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126908-B2 Aromatic sulfonic acid derivative, sulfonic acid group-containing polymer, block copolymer, polymer electrolyte material, polymer electrolyte form article, and polymer electrolyte fuel cell TORAY INDUSTRIES, INC. (JP) 2015-09-08 US disclosed
US-20140213671-A1 AROMATIC SULFONIC ACID DERIVATIVE, SULFONIC ACID GROUP-CONTAINING POLYMER, BLOCK CO-POLYMER, POLYMER ELECTROLYTE MATERIAL, POLYMER ELECTROLYTE MOLDED BODY, AND SOLID POLYMER FUEL CELL TORAY INDUSTRIES, INC. (JP) 2014-07-31 US 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-20140213671-A1 AROMATIC SULFONIC ACID DERIVATIVE, SULFONIC ACID GROUP-CONTAINING POLYMER, BLOCK CO-POLYMER, POLYMER ELECTROLYTE MATERIAL, POLYMER ELECTROLYTE MOLDED BODY, AND SOLID POLYMER FUEL CELL PAH, SMCHD1, ASIC1 PKM 77/4885GAA 914/4885ACHE 4787/4885

“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.