SCHEMBL6679253

SCHEMBL6679253

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

nearest known ligand 0.42

Predicted protein targets (top 20)

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 0.38
CA1 P00915 12/20 0.38
CA2 P00918 12/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CA4 P22748 5/20 0.37
KCNH2 Q12809 1/20 0.36
STAT3 P40763 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL6679254 1.00 KDM4E (0.42) KDM4EALDH1A1ALOX15HSD17B10TP53
SCHEMBL6679535 0.96 KDM4E (0.42) KDM4EALDH1A1ALOX15HSD17B10TP53
SCHEMBL6679540 0.96 KDM4E (0.42) KDM4EALDH1A1ALOX15HSD17B10TP53
SCHEMBL6803249 0.94 TP53 (0.40) KDM4EALDH1A1ALOX15HSD17B10TP53
SCHEMBL6540148 0.92 TP53 (0.43) KDM4EALDH1A1TP53CA12CA1
SCHEMBL6540137 0.92 TP53 (0.43) KDM4EALDH1A1TP53CA12CA1
SCHEMBL6681941 0.90 KDM4E (0.41) KDM4EALDH1A1ALOX15HSD17B10TP53
SCHEMBL6681944 0.90 KDM4E (0.41) KDM4EALDH1A1ALOX15HSD17B10TP53
SCHEMBL6540179 0.90 ADRB1 (0.40) TP53CA12CA1CA2CA4
SCHEMBL6540172 0.90 ADRB1 (0.40) TP53CA12CA1CA2CA4

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.