SCHEMBL590217

SCHEMBL590217

CC(=O)NC(CCc1ccc(-c2cccc3c(O)cccc23)cc1)(COC(C)=O)COC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.34
HCAR2 Q8TDS4 2/20 0.33
KCNJ11 Q14654 1/20 0.32
MCHR1 Q99705 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CDC25B P30305 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
BRAF P15056 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 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
SCHEMBL591389 0.83 SLC13A5 (0.35) SLC13A5MCHR1HRH3
SCHEMBL15925839 0.83 SLC13A5 (0.34) SLC13A5MCHR1HRH3
SCHEMBL589074 0.83 SLC13A5 (0.34) SLC13A5MCHR1HRH3PPARGPPARA
SCHEMBL10209159 0.83 S1PR1 (0.37) SLC13A5MCHR1HRH3
SCHEMBL589887 0.83 BRD4 (0.40) SLC13A5
SCHEMBL589077 0.81 S1PR1 (0.36) MCHR1HRH3
SCHEMBL5399646 0.81 MMP12 (0.44) SLC13A5MCHR1HRH3
SCHEMBL589370 0.80 S1PR1 (0.41) MCHR1HRH3
SCHEMBL8499681 0.80 KDM4E (0.46) ESR1ESR2
SCHEMBL5035787 0.78 ALDH1A1 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2017257-B1 2-AMINOBUTANOL COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-08-06 EP disclosed
EP-2017257-B1 2-AMINOBUTANOL COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-08-06 EP disclosed
US-8114902-B2 2-aminobutanol compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-02-14 US disclosed
US-8114902-B2 2-aminobutanol compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-02-14 US disclosed
US-8114902-B2 2-aminobutanol compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-02-14 US disclosed
US-20090082311-A1 2-Aminobutanol Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-26 US disclosed
US-20090082311-A1 2-Aminobutanol Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-26 US disclosed
US-20090082311-A1 2-Aminobutanol Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-26 US disclosed
EP-2017257-A1 2-AMINOBUTANOL COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2009-01-21 EP disclosed
EP-2017257-A1 2-AMINOBUTANOL COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2009-01-21 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-20090082311-A1 2-Aminobutanol Compound and Use Thereof for Medical Purposes ADRB2, ADRB1, ADRB3 SLC13A5 373/4885HCAR2 56/4885KCNJ11 461/4885

“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.