SCHEMBL19426178

SCHEMBL19426178

CC(C)NC(=O)C(N)c1ccc(O)c(O)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.49
▸ ADRB1 P08588 1/20 0.49
▸ ADRB3 P13945 1/20 0.49
▸ ADRA2A P08913 2/20 0.45
▸ ADRA2B P18089 2/20 0.45
▸ ADRA2C P18825 2/20 0.45
▸ ADRA1A P35348 2/20 0.45
▸ ADRA1B P35368 1/20 0.45
▸ ALOX5 P09917 1/20 0.38
▸ YARS1 P54577 1/20 0.35
▸ IDO1 P14902 2/20 0.33
▸ GRM1 Q13255 1/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ NPY1R P25929 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ HK2 P52789 1/20 0.31
▸ ESR2 Q92731 1/20 0.31

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
SCHEMBL15631155 0.71 ALOX5 (0.53) ADRB2ADRB1ADRB3ADRA2AADRA2B
SCHEMBL15631302 0.70 ADRA1A (0.57) ADRB2ADRB1ADRB3ADRA2AADRA2B
SCHEMBL9095138 0.70 ADRA2A (0.58) ADRB2ADRB1ADRB3ADRA2AADRA2B
SCHEMBL9095132 0.70 ADRA2A (0.58) ADRB2ADRB1ADRB3ADRA2AADRA2B
SCHEMBL19426095 0.69 ALDH1A1 (0.41) ADRB2ADRB1ADRB3ADRA2AADRA2B
SCHEMBL19426170 0.68 ADRA2A (0.49) ADRB2ADRB1ADRB3ADRA2AADRA2B
SCHEMBL11479086 0.67 ESR1 (0.43) ALOX5YARS1ESR1ESR2KDM4E
SCHEMBL19426105 0.67 ADRA2A (0.47) ADRB2ADRB1ADRB3ADRA2AADRA2B
SCHEMBL19426188 0.67 ADRB2 (0.39) ADRB2ADRB1ADRB3ADRA2AADRA2B
SCHEMBL11851290 0.66 ADRB2 (1.00) ADRB2ADRB1ADRB3ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 — — 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-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL ADRB2 2846/4885ADRB1 3823/4885ADRB3 3990/4885

“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.

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