SCHEMBL6804791

SCHEMBL6804791

C[C@H](Cc1ccc(S(=O)(=O)c2ccccc2OS(=O)(=O)C(F)(F)F)cc1)N(Cc1ccccc1)C[C@H](O)c1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.38
ADRB3 P13945 8/20 0.37
ADRB1 P08588 5/20 0.37
ADRB2 P07550 4/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 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
PTGDR2 Q9Y5Y4 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2D6 P10635 2/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
CNR1 P21554 4/20 0.34
SLC2A1 P11166 2/20 0.34

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
SCHEMBL6804788 0.88 CNR2 (0.38) CNR2ADRB3ADRB2PSEN1PSEN2
SCHEMBL6681059 0.87 PSEN1 (0.40) ADRB3ADRB1ADRB2PSEN1PSEN2
SCHEMBL6681061 0.87 PSEN1 (0.40) ADRB3ADRB1ADRB2PSEN1PSEN2
SCHEMBL6683518 0.87 ADRB3 (0.46) ADRB3ADRB1ADRB2CYP2C9CYP2D6
SCHEMBL6683514 0.87 ADRB3 (0.46) ADRB3ADRB1ADRB2CYP2C9CYP2D6
SCHEMBL6804793 0.83 ADRB3 (0.35) CNR2ADRB3ADRB1PSEN1PSEN2
SCHEMBL6806332 0.81 TP53 (0.41) ADRB3ADRB1ADRB2PSEN1PSEN2
SCHEMBL6676696 0.81 TP53 (0.41) ADRB3ADRB1ADRB2PSEN1PSEN2
SCHEMBL6682179 0.79 CNR2 (0.41) CNR2ADRB3ADRB1ADRB2PTGDR2
SCHEMBL6540707 0.78 TP53 (0.51) ADRB3ADRB1ADRB2CYP2C9CYP2D6

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 CNR2 73/4885ADRB3 150/4885ADRB1 39/4885

“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.