SCHEMBL6804845

SCHEMBL6804845

COC(=O)c1cccc(-c2ccc(S(=O)(=O)c3ccc(CCN(C[C@H](O)c4cccc(Cl)c4)C(=O)OC(C)(C)C)cc3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 16/20 0.45
ADRB1 P08588 14/20 0.45
ADRB2 P07550 1/20 0.45
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
BACE1 P56817 1/20 0.37

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
SCHEMBL6805217 0.95 ADRB3 (0.45) ADRB3ADRB1ADRB2
SCHEMBL6804154 0.92 ADRB3 (0.52) ADRB3ADRB1ADRB2
SCHEMBL6682294 0.90 ADRB3 (0.47) ADRB3ADRB1ADRB2
SCHEMBL6805016 0.90 ADRB3 (0.47) ADRB3ADRB1ADRB2
SCHEMBL4475758 0.89 ADRB3 (0.49) ADRB3ADRB1ADRB2
SCHEMBL6677354 0.88 ADRB3 (0.50) ADRB3ADRB1ADRB2
SCHEMBL1622127 0.88 ADRB3 (0.43) ADRB3ADRB1ADRB2BACE1
SCHEMBL1622126 0.88 ADRB3 (0.43) ADRB3ADRB1ADRB2BACE1
SCHEMBL4474501 0.87 ADRB3 (0.46) ADRB3ADRB1ADRB2
SCHEMBL4469696 0.86 ADRB3 (0.45) ADRB3ADRB1ADRB2BACE1

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 150/4885ADRB1 39/4885ADRB2 30/4885

“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.