SCHEMBL6676597

SCHEMBL6676597

CCOC(=O)c1ccc(S(=O)(=O)c2ccc(OCCN(Cc3ccccc3)C[C@@H](O)c3cccc(Cl)c3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR1H3 Q13133 2/20 0.40
MAOB P27338 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
ADRB3 P13945 5/20 0.39
ADRB1 P08588 4/20 0.39

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
SCHEMBL6803929 1.00 TP53 (0.47) TP53MEN1KMT2APOLBMAPT
SCHEMBL6805821 0.93 ADRB3 (0.40) TP53MEN1KMT2AMAPTMAPK1
SCHEMBL6681941 0.90 KDM4E (0.41) TP53MEN1KMT2ANR1H3MAOB
SCHEMBL6681944 0.90 KDM4E (0.41) TP53MEN1KMT2ANR1H3MAOB
SCHEMBL6540765 0.90 TP53 (0.56) TP53POLBMAPTMAPK1SMN1; SMN2
SCHEMBL6540772 0.90 TP53 (0.56) TP53POLBMAPTMAPK1SMN1; SMN2
SCHEMBL6805110 0.90 ADRB3 (0.43) MEN1KMT2ANR1H3CYP1A2CYP2D6
SCHEMBL6540284 0.90 TP53 (0.52) TP53MEN1KMT2APOLBMAPT
SCHEMBL6540279 0.90 TP53 (0.52) TP53MEN1KMT2APOLBMAPT
SCHEMBL6541200 0.89 TP53 (0.51) TP53POLBMAPTMAPK1SMN1; SMN2

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 TP53 3318/4885MEN1 4031/4885KMT2A 505/4885

“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.