SCHEMBL4393381

SCHEMBL4393381

CC(C)(Cc1cccc(CC(=O)O)c1)NC[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(OCc2ccccc2)c(CO)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.47
ADRB1 P08588 1/20 0.39
ELANE P08246 4/20 0.37
F2 P00734 1/20 0.37
CCR5 P51681 1/20 0.37
LMNA P02545 1/20 0.37
CTSG P08311 1/20 0.37
CHRM3 P20309 1/20 0.37
CFD P00746 3/20 0.35
F11 P03951 3/20 0.35
TPSB2 P20231 3/20 0.35
RXRB P28702 2/20 0.35
RXRA P19793 1/20 0.35
RXRG P48443 1/20 0.35
CASR P41180 2/20 0.35

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
SCHEMBL4392141 1.00 ADRB2 (0.47) ADRB2ADRB1ELANEF2CCR5
SCHEMBL13589456 0.94 ADRB2 (0.46) ADRB2ADRB1ELANEF2CCR5
SCHEMBL13589440 0.92 ADRB2 (0.44) ADRB2ADRB1ELANEF2CCR5
SCHEMBL6110678 0.90 ADRB2 (0.42) ADRB2ADRB1CCR5LMNACFD
SCHEMBL4387444 0.89 ADRB2 (0.41) ADRB2ADRB1ELANEF2CCR5
SCHEMBL6256253 0.89 ADRB2 (0.41) ADRB2ADRB1ELANEF2CCR5
SCHEMBL4391589 0.89 ADRB2 (0.41) ADRB2ADRB1ELANEF2CCR5
SCHEMBL4387438 0.89 ADRB2 (0.41) ADRB2ADRB1ELANEF2CCR5
SCHEMBL6252708 0.89 ADRB2 (0.43) ADRB2ADRB1ELANEF2CTSG
SCHEMBL6252705 0.89 ADRB2 (0.43) ADRB2ADRB1ELANEF2CTSG

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 6 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
EP-1727789-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS Pfizer Limited (GB) 2006-12-06 EP disclosed
WO-2006051373-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2006-05-18 WO 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 731/4885ADRB1 711/4885ELANE 15/4885

“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.