SCHEMBL6679540

SCHEMBL6679540

CCOC(=O)c1cc(S(=O)(=O)c2ccc(CCCN(Cc3ccccc3)C[C@H](O)c3cccc(Cl)c3)cc2)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.40
CA12 O43570 12/20 0.40
CA1 P00915 12/20 0.40
CA2 P00918 12/20 0.40
CA4 P22748 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
STAT3 P40763 2/20 0.37
ADRB3 P13945 2/20 0.36
ADRB1 P08588 1/20 0.36

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
SCHEMBL6679535 1.00 KDM4E (0.42) KDM4EALDH1A1ALOX15HSD17B10TP53
SCHEMBL6679253 0.96 KDM4E (0.42) KDM4EALDH1A1ALOX15HSD17B10TP53
SCHEMBL6679254 0.96 KDM4E (0.42) KDM4EALDH1A1ALOX15HSD17B10TP53
SCHEMBL6687820 0.94 TP53 (0.40) TP53CA12CA1CA2CA4
SCHEMBL6687821 0.94 TP53 (0.40) TP53CA12CA1CA2CA4
SCHEMBL6803249 0.90 TP53 (0.40) KDM4EALDH1A1ALOX15HSD17B10TP53
SCHEMBL6541193 0.90 TP53 (0.51) TP53CA12CA1CA2CA4
SCHEMBL6541200 0.90 TP53 (0.51) TP53CA12CA1CA2CA4
SCHEMBL6681944 0.90 KDM4E (0.41) KDM4EALDH1A1ALOX15HSD17B10TP53
SCHEMBL6681941 0.90 KDM4E (0.41) KDM4EALDH1A1ALOX15HSD17B10TP53

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 KDM4E 994/4885ALDH1A1 168/4885ALOX15 1165/4885

“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.