SCHEMBL6803252

SCHEMBL6803252

CCc1c(S(=O)(=O)c2ccc(CCN(Cc3ccccc3)CC(O)c3cccc(Cl)c3)cc2)ccc(C(=O)O)c1O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.40
ADRB1 P08588 8/20 0.40
CA12 O43570 5/20 0.36
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
SPPL2A Q8TCT8 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.35
CA4 P22748 1/20 0.35
RORC P51449 2/20 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
SCHEMBL6803258 1.00 ADRB3 (0.40) ADRB3ADRB1CA12CA1CA2
SCHEMBL6799697 0.89 LTB4R2 (0.38) ADRB3ADRB1MEN1POLBKMT2A
SCHEMBL6678773 0.85 ADRB3 (0.43) ADRB3ADRB1CA12CA1CA2
SCHEMBL6678776 0.85 ADRB3 (0.43) ADRB3ADRB1CA12CA1CA2
SCHEMBL6802974 0.84 ADRB3 (0.43) ADRB3ADRB1MEN1POLBKMT2A
SCHEMBL6541301 0.83 ADRB3 (0.39) ADRB3ADRB1CA12CA1CA2
SCHEMBL6541294 0.83 ADRB3 (0.39) ADRB3ADRB1CA12CA1CA2
SCHEMBL6540308 0.83 ADRB3 (0.49) ADRB3ADRB1CA12CA1CA2
SCHEMBL6540304 0.83 ADRB3 (0.49) ADRB3ADRB1CA12CA1CA2
SCHEMBL6802972 0.83 ADRB3 (0.40) ADRB3ADRB1MEN1POLBKMT2A

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 1 patent. 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

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 ADRB3 150/4885ADRB1 39/4885CA12 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.