SCHEMBL4390597

SCHEMBL4390597

C[C@H](Cc1cccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1)NC[C@@H](O)c1ccc(O)c(CO)c1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.71
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL4390593 1.00 ADRB2 (0.71) ADRB2CA1CA2TP53TSHR
SCHEMBL4393016 0.90 ADRB2 (0.77) ADRB2
SCHEMBL4393023 0.90 ADRB2 (0.77) ADRB2
SCHEMBL4386847 0.89 ADRB2 (0.67) ADRB2
SCHEMBL4386853 0.89 ADRB2 (0.67) ADRB2
SCHEMBL4259940 0.88 ADRB2 (0.82) ADRB2
SCHEMBL4259937 0.88 ADRB2 (0.82) ADRB2
SCHEMBL5969557 0.86 ADRB2 (0.79) ADRB2
SCHEMBL4388910 0.86 ADRB2 (0.79) ADRB2
SCHEMBL4386815 0.84 ADRB2 (0.62) ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577291-A1 Phenylethanolamine derivatives as beta-2 agonists Pfizer Limited (GB) 2005-09-21 EP claimed
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-20050234097-A1 Compounds useful for the treatment of diseases PFIZER INC 2005-10-20 US disclosed
EP-1577291-A1 Phenylethanolamine derivatives as beta-2 agonists Pfizer Limited (GB) 2005-09-21 EP 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-20050234097-A1 Compounds useful for the treatment of diseases LTC4S, CYP11B2, CYP11B1 ADRB2 731/4885CA1 2424/4885CA2 1737/4885

“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.