SCHEMBL5486396

SCHEMBL5486396

Cc1ccc(S(=O)(=O)OCCCCCCCCCOc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
STAT3 P40763 1/20 0.56
PLA2G4B P0C869 7/20 0.56
RARB P10826 4/20 0.53
HTT P42858 2/20 0.53
PLA2G4A P47712 1/20 0.51
POLB P06746 1/20 0.50
APEX1 P27695 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KMT2A Q03164 1/20 0.48
GFER P55789 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL29084470 1.00 TP53 (0.57) TP53TSHRSTAT3PLA2G4BRARB
SCHEMBL11106363 0.96 STAT3 (0.57) TP53TSHRSTAT3PLA2G4BRARB
SCHEMBL11111198 0.92 STAT3 (0.59) TP53TSHRSTAT3PLA2G4BRARB
SCHEMBL15928461 0.89 PPARA (0.54) STAT3
SCHEMBL29768597 0.87 PSMD10 (0.58) STAT3HTTPOLBTDP1KMT2A
SCHEMBL22032152 0.86 STAT3 (0.55) STAT3PLA2G4BRARBTDP1KMT2A
SCHEMBL29768658 0.83 PSMD10 (0.59) STAT3HTTPOLBTDP1KMT2A
SCHEMBL17654016 0.81 PSMD10 (0.46) STAT3POLBKMT2A
SCHEMBL8484861 0.81 ALDH1A1 (0.48) STAT3PKM
SCHEMBL4812770 0.81 ALDH1A1 (0.48) STAT3PKM

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-7193087-B2 4-Aminopyridinium compound FUJI PHOTO FILM CO., LTD. (JP) 2007-03-20 US disclosed
US-20050211954-A1 4-Aminopyridinium compound FUJI PHOTO FILM CO., LTD. (JP) 2005-09-29 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-20050211954-A1 4-Aminopyridinium compound CHRM1, PYM1, CHRM4 TP53 2859/4885TSHR 2376/4885STAT3 3568/4885

“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.