SCHEMBL6540202

SCHEMBL6540202

Cc1cc(S(=O)(=O)c2ccc(CCN(Cc3ccccc3)C[C@H](O)c3cccc(Cl)c3)cc2)cc(C)c1OCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.42
PTPN1 P18031 1/20 0.42
ADRB3 P13945 7/20 0.42
ADRB2 P07550 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA12 O43570 6/20 0.40
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
CA4 P22748 6/20 0.40
CA9 Q16790 6/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL6540209 1.00 ADRB1 (0.42) ADRB1PTPN1ADRB3ADRB2ADRA1D
SCHEMBL6552712 0.90 KCNH2 (0.37) ADRB1ADRB3ADRB2CYP1A2CYP2D6
SCHEMBL6540723 0.89 ADRB3 (0.53) ADRB1ADRB3ADRB2ADRA1DADRA1A
SCHEMBL6540725 0.89 ADRB3 (0.53) ADRB1ADRB3ADRB2ADRA1DADRA1A
SCHEMBL6540720 0.89 ADRB3 (0.53) ADRB1ADRB3ADRB2ADRA1DADRA1A
SCHEMBL6552709 0.88 KCNH2 (0.36) ADRB1ADRB3ADRB2CYP1A2CYP2D6
SCHEMBL6272447 0.88 ADRB3 (0.39) ADRB1ADRB3KCNH2
SCHEMBL6272453 0.88 ADRB3 (0.39) ADRB1ADRB3KCNH2
SCHEMBL6540314 0.88 ADRB3 (0.41) ADRB1ADRB3ADRB2KCNH2
SCHEMBL6540307 0.88 ADRB3 (0.41) ADRB1ADRB3ADRB2KCNH2

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 ADRB1 7/4885PTPN1 4443/4885ADRB3 58/4885

“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.