SCHEMBL6540045

SCHEMBL6540045

Cc1cc(S(=O)(=O)c2ccc(CCN)cc2)ccc1OCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.51
HTR6 P50406 2/20 0.50
PTGDR2 Q9Y5Y4 6/20 0.48
ALDH1A1 P00352 2/20 0.47
PTPN1 P18031 1/20 0.46
PPARD Q03181 3/20 0.44
PPARG P37231 2/20 0.44
PPARA Q07869 1/20 0.44
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL6541353 0.86 HTR6 (0.51) HTR6PTGDR2ALDH1A1PTPN1PPARD
SCHEMBL6540527 0.85 TDP1 (0.51) HTR6PTGDR2ALDH1A1PTPN1
SCHEMBL6540961 0.83 APEX1 (0.49) APEX1PTGDR2ALDH1A1PTPN1PPARD
SCHEMBL6540943 0.80 ALDH1A1 (0.73) HTR6ALDH1A1PPARDPPARAGAA
SCHEMBL6540191 0.80 PTPN1 (0.47) APEX1PTGDR2ALDH1A1PTPN1PPARD
SCHEMBL4004421 0.76 APEX1 (0.60) APEX1PTGDR2PTPN1PPARDPPARG
SCHEMBL6540687 0.75 HTR6 (0.55) HTR6KDM4E
SCHEMBL6541355 0.74 PTPN1 (0.46) APEX1PTGDR2PTPN1PPARDPPARG
SCHEMBL8555458 0.74 KDM4E (0.50) APEX1PTGDR2KDM4E
SCHEMBL6541317 0.74 HTR6 (0.48) HTR6KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 APEX1 1313/4885HTR6 522/4885PTGDR2 300/4885

“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.