SCHEMBL5447152

SCHEMBL5447152

NC(=O)Nc1cccc(C#CCCOCCCCCCBr)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.37
PTPN11 Q06124 1/20 0.37
ADRB2 P07550 4/20 0.37
ADRB1 P08588 4/20 0.37
ADRB3 P13945 4/20 0.37
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5445225 0.96 IKBKB (0.37) IKBKBPTPN11ADRB2ADRB1ADRB3
SCHEMBL5449569 0.96 IKBKB (0.37) IKBKBPTPN11ADRB2ADRB1ADRB3
SCHEMBL5445988 0.90 IKBKB (0.38) IKBKBPTPN11ADRB2ADRB1ADRB3
SCHEMBL5453971 0.84 PTPN11 (0.37) IKBKBPTPN11ADRB2ADRB1ADRB3
SCHEMBL5455507 0.84 PTPN11 (0.37) IKBKBPTPN11ADRB2ADRB1ADRB3
SCHEMBL5452187 0.83 NPC1 (0.44) IKBKBPTPN11HTTSMN1; SMN2
SCHEMBL5451337 0.81 ADRB2 (0.40) ADRB2ADRB1ADRB3
SCHEMBL5448551 0.79 PTPN11 (0.38) IKBKBPTPN11ADRB2ADRB1ADRB3
SCHEMBL5451323 0.78 ADRB2 (0.55) ADRB2ADRB1ADRB3
SCHEMBL4802684 0.76 CA1 (0.48) ADRB2ADRB1ADRB3

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
US-20070249630-A1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
US-20050209338-A1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2005-09-22 US disclosed
EP-1478620-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-11-24 EP disclosed
WO-2003072539-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-09-04 WO 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 (2 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-20050209338-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 IKBKB 4361/4885PTPN11 4008/4885ADRB2 89/4885
US-20070249630-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 IKBKB 4361/4885PTPN11 4008/4885ADRB2 89/4885

“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.