SCHEMBL6133679

SCHEMBL6133679

COC(=O)c1ccc(-c2ccc3c(c2)C[C@@H](NC(=O)OCc2ccccc2)CC3)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
ACHE P22303 2/20 0.59
HDAC8 Q9BY41 1/20 0.55
EPHX1 P07099 1/20 0.50
ADRB3 P13945 8/20 0.47
ADRB1 P08588 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
TLR4 O00206 1/20 0.46
TAOK1 Q7L7X3 2/20 0.45
TAOK3 Q9H2K8 1/20 0.45
TSHR P16473 2/20 0.45
MAPT P10636 2/20 0.44
RAB9A P51151 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
CYP3A4 P08684 1/20 0.43

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
SCHEMBL1590778 0.83 CA1 (0.59) CA1CA2ACHEHDAC8EPHX1
SCHEMBL1421067 0.83 CA1 (0.59) CA1CA2ACHEHDAC8EPHX1
SCHEMBL1421070 0.83 CA1 (0.59) CA1CA2ACHEHDAC8EPHX1
SCHEMBL6135268 0.83 CA1 (0.58) CA1CA2ACHEHDAC8EPHX1
SCHEMBL5677446 0.82 CA1 (0.63) CA1CA2ACHEHDAC8EPHX1
SCHEMBL7591612 0.82 CA1 (0.63) CA1CA2ACHEHDAC8EPHX1
SCHEMBL6133955 0.81 HDAC8 (0.53) CA1CA2ACHEHDAC8EPHX1
SCHEMBL9490334 0.81 CA1 (0.73) CA1CA2ACHEHDAC8EPHX1
SCHEMBL6135270 0.79 CA1 (0.59) CA1CA2ACHEHDAC8EPHX1
SCHEMBL6134880 0.78 CA1 (0.54) CA1CA2ACHEHDAC8ADRB3

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-20050090669-A1 Aminoalcohol derivatives as beta-3 adrenergic receptor agonists ASTELLAS PHARMA INC. (JP) 2005-04-28 US disclosed
EP-1483236-A1 AMINOALCOHOL DERIVATIVES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-08 EP disclosed
WO-2003076397-A1 AMINOALCOHOL DERIVATIVES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 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-20050090669-A1 Aminoalcohol derivatives as beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 CA1 3986/4885CA2 1240/4885ACHE 511/4885

“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.