SCHEMBL6540706

SCHEMBL6540706

COC(=O)c1ccc(S(=O)(=O)c2ccc(CCN(Cc3ccccc3)C[C@H](O)c3cccc(Cl)c3)cc2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.42
ADRB1 P08588 8/20 0.42
KCNH2 Q12809 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
SPPL2A Q8TCT8 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
ADRB2 P07550 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
RORC P51449 2/20 0.37

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
SCHEMBL6540711 1.00 ADRB3 (0.42) ADRB3ADRB1KCNH2PSEN1PSEN2
SCHEMBL6267975 0.89 PTPN2 (0.40) ADRB3ADRB1KCNH2L3MBTL1
SCHEMBL6267977 0.89 PTPN2 (0.40) ADRB3ADRB1KCNH2L3MBTL1
SCHEMBL6540148 0.86 TP53 (0.43) ADRB3ADRB1KCNH2TAS2R14
SCHEMBL6540137 0.86 TP53 (0.43) ADRB3ADRB1KCNH2TAS2R14
SCHEMBL6803249 0.86 TP53 (0.40) ADRB3ADRB1KCNH2L3MBTL1
SCHEMBL6678776 0.86 ADRB3 (0.43) ADRB3ADRB1PSEN1PSEN2SPPL2A
SCHEMBL6540308 0.86 ADRB3 (0.49) ADRB3ADRB1PSEN1PSEN2SPPL2A
SCHEMBL6540304 0.86 ADRB3 (0.49) ADRB3ADRB1PSEN1PSEN2SPPL2A
SCHEMBL6678773 0.86 ADRB3 (0.43) ADRB3ADRB1PSEN1PSEN2SPPL2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 ADRB3 58/4885ADRB1 7/4885KCNH2 211/4885

“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.