SCHEMBL6677299

SCHEMBL6677299

COC(=O)c1cc(S(=O)(=O)c2ccc(CCN)cc2)ccc1OCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CA2 P00918 5/20 0.41
GAA P10253 1/20 0.40
S1PR1 P21453 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
S1PR3 Q99500 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
SCHEMBL6269080 0.85 HTR6 (0.50) HTR6ALDH1A1HTTGAASMN1; SMN2
SCHEMBL6677026 0.83 GAA (0.49) HTR6ALDH1A1HTTGAASMN1; SMN2
SCHEMBL6693485 0.82 CA2 (0.47) CA2CA12CA1CA9NLRP3
Hydrochloric Acid SCHEMBL6681267 0.80 HTR6 (0.48) HTR6KDM4ECA2GAAMEN1
SCHEMBL6539760 0.77 GAA (0.52) HTR6ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL6805008 0.76 ADRB3 (0.56)
SCHEMBL6677134 0.76 ADRB3 (0.56)
SCHEMBL6678526 0.74 HTR6 (0.47) HTR6ALDH1A1CA2KMT2ACA12
SCHEMBL6274464 0.73 HTR6 (0.46) HTR6KMT2AMAPTHPGD
SCHEMBL6270628 0.72 HTR6 (0.47) HTR6ALDH1A1KDM4EGAAHPGD

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-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 HTR6 689/4885ALDH1A1 168/4885HTT 2059/4885

“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.