SCHEMBL6679489

SCHEMBL6679489

CCOC(=O)c1cc(S(=O)(=O)c2ccc(CCNCc3ccccc3)cc2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.51
CA2 P00918 6/20 0.51
CA12 O43570 4/20 0.51
CA9 Q16790 4/20 0.51
CA4 P22748 1/20 0.51
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 4/20 0.49
HPGD P15428 2/20 0.49
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ATM Q13315 1/20 0.46
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL6680446 0.94 KDM4E (0.48) CA1CA2CA12CA9CA4
SCHEMBL6679701 0.92 CA1 (0.51) CA1CA2CA12CA9CA4
SCHEMBL6675966 0.91 CA1 (0.54) CA1CA2CA12CA9CA4
SCHEMBL6539474 0.89 SMN1; SMN2 (0.52) CA1CA2CA12CA9CA4
SCHEMBL6681287 0.87 DRD4 (0.49) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL6540016 0.87 CA1 (0.47) CA1CA2CA12CA9CA4
SCHEMBL6678367 0.86 SMN1; SMN2 (0.46) CA1CA2CA12CA9CA4
SCHEMBL6541100 0.85 SMN1; SMN2 (0.68) CA1CA2CA12CA9CA4
SCHEMBL6540180 0.84 SMN1; SMN2 (0.55) CA1CA2CA12CA9CA4
SCHEMBL6676593 0.84 CA1 (0.54) CA1CA2CA12CA9CA4

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 CA1 2450/4885CA2 696/4885CA12 1959/4885

“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.