SCHEMBL4253671

SCHEMBL4253671

C[C@H](Cc1cccc(CCC(=O)Nc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(CO)c1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.70
CASP3 P42574 1/20 0.48
CASP6 P55212 1/20 0.48
ADRA1D P25100 1/20 0.48

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
SCHEMBL4253680 1.00 ADRB2 (0.70) ADRB2CASP3CASP6ADRA1D
SCHEMBL4258514 0.91 ADRB2 (0.81) ADRB2
SCHEMBL4258512 0.91 ADRB2 (0.81) ADRB2
SCHEMBL4259152 0.90 ADRB2 (0.83) ADRB2ADRA1D
SCHEMBL4409233 0.90 ADRB2 (0.83) ADRB2ADRA1D
SCHEMBL4259149 0.90 ADRB2 (0.83) ADRB2ADRA1D
SCHEMBL4255273 0.89 ADRB2 (0.72) ADRB2CASP3CASP6
SCHEMBL4257427 0.89 ADRB2 (0.72) ADRB2CASP3CASP6
SCHEMBL4260233 0.89 ADRB2 (0.72) ADRB2ADRA1D
SCHEMBL4260226 0.89 ADRB2 (0.72) ADRB2ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1624868-B9 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL]PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LTD (GB) 2009-08-12 EP claimed
EP-1624868-B1 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL]PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LTD (GB) 2008-11-12 EP claimed
US-7268147-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2007-09-11 US claimed
US-20040229904-A1 Compounds useful for the treatment of diseases PFIZER INC 2004-11-18 US claimed
EP-1624868-B9 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL]PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LTD (GB) 2009-08-12 EP disclosed
EP-1624868-B9 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL]PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LTD (GB) 2009-08-12 EP disclosed
EP-1624868-B1 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL]PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LTD (GB) 2008-11-12 EP disclosed
EP-1624868-B1 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL]PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LTD (GB) 2008-11-12 EP disclosed
US-7268147-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2007-09-11 US disclosed
US-7268147-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2007-09-11 US disclosed
US-7268147-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2007-09-11 US disclosed
US-20040229904-A1 Compounds useful for the treatment of diseases PFIZER INC 2004-11-18 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-20040229904-A1 Compounds useful for the treatment of diseases LTC4S, CYP11B1, CYP11B2 ADRB2 901/4885CASP3 2754/4885CASP6 2493/4885

“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.