SCHEMBL4384732

SCHEMBL4384732

C[C@H](Cc1cccc(C(=O)O)c1)NC[C@H](O)c1ccc(O)c(CO)c1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.71
CASP3 P42574 1/20 0.62
CASP6 P55212 1/20 0.62
ADRB1 P08588 4/20 0.60
ADRB3 P13945 4/20 0.60

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
SCHEMBL4384736 1.00 ADRB2 (0.71) ADRB2CASP3CASP6ADRB1ADRB3
SCHEMBL4386778 0.90 ADRB2 (0.66) ADRB2CASP3CASP6ADRB1ADRB3
SCHEMBL10661675 0.90 ADRB2 (0.66) ADRB2CASP3CASP6ADRB1ADRB3
SCHEMBL4386774 0.90 ADRB2 (0.66) ADRB2CASP3CASP6ADRB1ADRB3
SCHEMBL4393023 0.89 ADRB2 (0.77) ADRB2CASP3CASP6
SCHEMBL4393016 0.89 ADRB2 (0.77) ADRB2CASP3CASP6
SCHEMBL4384910 0.88 ADRB2 (0.67) ADRB2CASP3CASP6
SCHEMBL4384915 0.88 ADRB2 (0.67) ADRB2CASP3CASP6
SCHEMBL9661334 0.88 ADRB2 (0.69) ADRB2CASP3CASP6ADRB1ADRB3
SCHEMBL4383857 0.88 ADRB2 (0.70) ADRB2CASP3CASP6ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
EP-1727789-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS Pfizer Limited (GB) 2006-12-06 EP disclosed
US-20050234097-A1 Compounds useful for the treatment of diseases PFIZER INC 2005-10-20 US disclosed
WO-2005090287-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS PFIZER LIMITED (GB) 2005-09-29 WO 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 731/4885CASP3 2450/4885CASP6 2217/4885

“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.