SCHEMBL589077

SCHEMBL589077

CC(=O)NC(CCc1ccc(-c2cccc3c(Sc4ccc(C)cc4)cccc23)cc1)(COC(C)=O)COC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.36
MCHR1 Q99705 6/20 0.35
HRH3 Q9Y5N1 6/20 0.35
TP53 P04637 2/20 0.34
BLM P54132 2/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
VCAM1 P19320 1/20 0.33
FFAR1 O14842 2/20 0.32
FFAR4 Q5NUL3 2/20 0.32
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 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
SCHEMBL589074 0.93 SLC13A5 (0.34) S1PR1MCHR1HRH3FFAR1FFAR4
SCHEMBL589370 0.91 S1PR1 (0.41) S1PR1MCHR1HRH3ICAM1SELE
SCHEMBL590217 0.81 SLC13A5 (0.34) MCHR1HRH3
SCHEMBL14154507 0.80 NPC1 (0.41) MCHR1HRH3FFAR1LMNASMN1; SMN2
SCHEMBL10168130 0.78 S1PR1 (0.57) S1PR1MCHR1HRH3FFAR1FFAR4
SCHEMBL10168101 0.77 S1PR1 (0.48) S1PR1ICAM1SELEVCAM1
Hydrochloric Acid SCHEMBL590680 0.76 S1PR1 (0.48) S1PR1ICAM1SELEVCAM1
SCHEMBL589887 0.76 BRD4 (0.40) FFAR1ALDH1A1MAPT
SCHEMBL15925839 0.76 SLC13A5 (0.34) MCHR1HRH3
SCHEMBL10209159 0.76 S1PR1 (0.37) S1PR1MCHR1HRH3LMNASMN1; SMN2

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 S1PR1 843/4885MCHR1 741/4885HRH3 13/4885

“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.