SCHEMBL6679407

SCHEMBL6679407

CCOC(=O)c1cc(Cl)ccc1S(=O)(=O)c1ccc(C[C@@H](C)N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CNR2 P34972 3/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
CHRNA7 P36544 4/20 0.41
MAOB P27338 1/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TNF P01375 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
CCR6 P51684 1/20 0.40
RUNX1 Q01196 1/20 0.40
CBFB Q13951 1/20 0.40

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
SCHEMBL6676569 0.87 CA2 (0.38) CA1CA2CA12CA9MAOB
SCHEMBL6676486 0.86 SLC6A4 (0.46) CNR2CHRNA7KDM4ELMNAALDH1A1
SCHEMBL6804926 0.85 CA2 (0.36) SLC6A2CA1CA2CA12CA9
SCHEMBL6680578 0.84 HPGD (0.42) CA12CA9KDM4ELMNAALDH1A1
SCHEMBL6677489 0.83 ALDH1A1 (0.47) CA1CA2CA12CA9KDM4E
SCHEMBL6682518 0.83 MMP2 (0.43) LMNAALDH1A1ALOX12NPSR1HTT
SCHEMBL6677333 0.82 CNR1 (0.46) CNR2KDM4ELMNAALDH1A1TNF
SCHEMBL6540641 0.82 CA2 (0.46) SLC6A2SLC6A3CA1CA2CA12
SCHEMBL6677650 0.81 CA2 (0.41) SLC6A2CA1CA2CA12CA9
SCHEMBL6677206 0.81 F2 (0.40) CA2KDM4ELMNAALDH1A1MAPT

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 SLC6A2 2477/4885SLC6A3 2120/4885CNR2 73/4885

“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.