SCHEMBL589720

SCHEMBL589720

CC(C)(C)OC(=O)NC(CO)(CO)CCc1ccc(Br)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 9/20 0.46
IDO1 P14902 2/20 0.40
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 1/20 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
SCHEMBL2130134 0.93 AAK1 (0.43) AAK1IDO1TSHRSMN1; SMN2ALDH1A1
SCHEMBL15284448 0.93 AAK1 (0.43) AAK1IDO1TSHRSMN1; SMN2ALDH1A1
SCHEMBL2130129 0.93 AAK1 (0.43) AAK1IDO1TSHRSMN1; SMN2ALDH1A1
SCHEMBL2129589 0.92 AAK1 (0.42) AAK1IDO1TSHRSMN1; SMN2ALDH1A1
SCHEMBL2129582 0.92 AAK1 (0.42) AAK1IDO1TSHRSMN1; SMN2ALDH1A1
SCHEMBL2128048 0.91 AAK1 (0.41) AAK1IDO1TSHRSMN1; SMN2ALDH1A1
SCHEMBL2128042 0.91 AAK1 (0.41) AAK1IDO1TSHRSMN1; SMN2ALDH1A1
SCHEMBL2129066 0.89 AAK1 (0.47) AAK1IDO1TSHR
SCHEMBL2129061 0.89 AAK1 (0.47) AAK1IDO1TSHR
SCHEMBL3690260 0.84 AAK1 (0.46) AAK1IDO1TSHRSMN1; SMN2ALDH1A1

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 9 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
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 AAK1 1259/4885IDO1 249/4885TSHR 893/4885

“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.