SCHEMBL6540899

SCHEMBL6540899

O=S(=O)(c1ccc(CCN(Cc2ccccc2)C[C@H](O)c2cccc(Cl)c2)cc1)c1cccc(OCCO)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 5/20 0.41
ADRB3 P13945 5/20 0.40
ADRB1 P08588 3/20 0.40
ADRB2 P07550 1/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA4 P22748 3/20 0.38
CA9 Q16790 3/20 0.38
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
PGR P06401 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
SPPL2A Q8TCT8 1/20 0.36

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
SCHEMBL6541525 0.92 KCNH2 (0.41) NR1H3ADRB3ADRB1KCNH2ALDH1A1
SCHEMBL6539972 0.91 CA12 (0.48) ADRB3ADRB1ADRB2CA12CA1
SCHEMBL6539982 0.91 CA12 (0.48) ADRB3ADRB1ADRB2CA12CA1
SCHEMBL6539979 0.91 CA12 (0.48) ADRB3ADRB1ADRB2CA12CA1
SCHEMBL6539497 0.90 TAS2R14 (0.44) NR1H3ADRB3KCNH2ALDH1A1TSHR
SCHEMBL6540839 0.89 NR1H3 (0.40) NR1H3KCNH2ALDH1A1CA12CA1
SCHEMBL6679661 0.88 KCNH2 (0.38) NR1H3ADRB3ADRB1KCNH2ALDH1A1
SCHEMBL6679662 0.88 KCNH2 (0.38) NR1H3ADRB3ADRB1KCNH2ALDH1A1
SCHEMBL6800072 0.87 ADRB1 (0.46) NR1H3ADRB3ADRB1ADRB2CA12
SCHEMBL6800065 0.87 ADRB1 (0.46) NR1H3ADRB3ADRB1ADRB2CA12

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 NR1H3 598/4885ADRB3 58/4885ADRB1 7/4885

“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.