SCHEMBL6540715

SCHEMBL6540715

CC(C)(Oc1cccc(S(=O)(=O)c2ccc(CCN(Cc3ccccc3)CC(O)c3cccc(Cl)c3)cc2)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 5/20 0.40
CNR1 P21554 2/20 0.39
CNR2 P34972 1/20 0.39
KCNH2 Q12809 1/20 0.38
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
PPARA Q07869 3/20 0.36
PPARG P37231 2/20 0.36
BCL9 O00512 2/20 0.36
CTNNB1 P35222 2/20 0.36
NR1H3 Q13133 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 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
SCHEMBL6540710 1.00 ADRB3 (0.40) ADRB3CNR1CNR2KCNH2LPAR1
SCHEMBL6539497 0.89 TAS2R14 (0.44) ADRB3KCNH2LPAR1LPAR5NR1H3
SCHEMBL6541525 0.87 KCNH2 (0.41) ADRB3KCNH2LPAR1LPAR5NR1H3
SCHEMBL6679662 0.86 KCNH2 (0.38) ADRB3KCNH2LPAR1LPAR5NR1H3
SCHEMBL6539979 0.86 CA12 (0.48) ADRB3CA12CA1CA2CA4
SCHEMBL6539982 0.86 CA12 (0.48) ADRB3CA12CA1CA2CA4
SCHEMBL6679661 0.86 KCNH2 (0.38) ADRB3KCNH2LPAR1LPAR5NR1H3
SCHEMBL6539972 0.86 CA12 (0.48) ADRB3CA12CA1CA2CA4
SCHEMBL6540899 0.85 NR1H3 (0.41) ADRB3KCNH2LPAR1LPAR5PPARA
SCHEMBL6676289 0.85 ADRB3 (0.53) ADRB3LPAR1LPAR5TAS2R14ADRB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO 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 ADRB3 58/4885CNR1 45/4885CNR2 22/4885

“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.