SCHEMBL6805431

SCHEMBL6805431

O=S(=O)(c1ccc(CCCN(Cc2ccccc2)C[C@H](O)c2cccc(Cl)c2)cc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
ADRB1 P08588 5/20 0.37
BCHE P06276 1/20 0.37
PGR P06401 1/20 0.37
KCNH2 Q12809 1/20 0.37
NR1H3 Q13133 2/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ADRB2 P07550 1/20 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
SCHEMBL6805436 1.00 ADRB3 (0.38) ADRB3LPAR1LPAR5ADRB1BCHE
SCHEMBL6805663 0.94 PGR (0.37) ADRB3LPAR1LPAR5ADRB1BCHE
SCHEMBL6805657 0.94 PGR (0.37) ADRB3LPAR1LPAR5ADRB1BCHE
SCHEMBL6804793 0.90 ADRB3 (0.35) ADRB3LPAR1LPAR5ADRB1BCHE
SCHEMBL6679662 0.90 KCNH2 (0.38) ADRB3LPAR1LPAR5ADRB1PGR
SCHEMBL6679661 0.90 KCNH2 (0.38) ADRB3LPAR1LPAR5ADRB1PGR
SCHEMBL6806073 0.90 MEN1 (0.41) ADRB3ADRB1PGRKCNH2NR1H3
SCHEMBL6806070 0.90 MEN1 (0.41) ADRB3ADRB1PGRKCNH2NR1H3
SCHEMBL6539821 0.87 ADRB3 (0.41) ADRB3ADRB1BCHETAS2R14CA12
SCHEMBL6539818 0.87 ADRB3 (0.41) ADRB3ADRB1BCHETAS2R14CA12

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 150/4885LPAR1 1110/4885LPAR5 1485/4885

“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.