SCHEMBL589909

SCHEMBL589909

CCOC(=O)C(CC)(CCc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 2/20 0.39
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
S1PR4 O95977 1/20 0.38
MAPT P10636 1/20 0.38
S1PR1 P21453 1/20 0.38
MMP8 P22894 1/20 0.38
HTT P42858 1/20 0.38
CYP4F2 P78329 1/20 0.37

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
SCHEMBL6938826 0.87 ALDH1A1 (0.47) SMN1; SMN2LMNANPSR1ALDH1A1CYP1A2
SCHEMBL591080 0.86 SMN1; SMN2 (0.46) SMN1; SMN2LMNANPSR1ALDH1A1CYP1A2
SCHEMBL589872 0.82 SMN1; SMN2 (0.49) SMN1; SMN2LMNANPSR1ALDH1A1CYP1A2
SCHEMBL12430069 0.81 NPSR1 (0.45) SMN1; SMN2LMNANPSR1ALDH1A1CYP1A2
SCHEMBL18065664 0.81 ALDH1A1 (0.49) SMN1; SMN2NPSR1ALDH1A1L3MBTL1TSHR
SCHEMBL22666025 0.81 ALDH1A1 (0.49) SMN1; SMN2LMNANPSR1ALDH1A1CYP1A2
SCHEMBL589181 0.81 SMN1; SMN2 (0.49) SMN1; SMN2LMNANPSR1ALDH1A1CYP1A2
SCHEMBL11961981 0.80 SMN1; SMN2 (0.48) SMN1; SMN2LMNANPSR1ALDH1A1CYP1A2
SCHEMBL11133472 0.79 PTPRC (0.46) SMN1; SMN2LMNANPSR1ALDH1A1CYP1A2
SCHEMBL7621797 0.79 S1PR1 (0.57) LMNAALDH1A1TSHRS1PR4S1PR1

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 7 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-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

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 SMN1; SMN2 1584/4885LMNA 3981/4885NPSR1 306/4885

“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.