SCHEMBL589208

SCHEMBL589208

CC(=O)NC1(CCc2ccc(-c3ccc(Sc4ccc(C)cc4)cc3F)cc2)COC(C)(C)OC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.45
S1PR3 Q99500 1/20 0.37
BLM P54132 1/20 0.34
RARB P10826 1/20 0.33
FFAR4 Q5NUL3 3/20 0.33
FFAR1 O14842 2/20 0.33
TP53 P04637 1/20 0.32
HCAR2 Q8TDS4 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX5 P09917 1/20 0.31
BCL2 P10415 1/20 0.31
MCL1 Q07820 1/20 0.31
KDM1A O60341 1/20 0.31
HDAC1 Q13547 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 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
SCHEMBL589561 0.93 S1PR1 (0.44) S1PR1S1PR3RARBHCAR2LMNA
SCHEMBL590203 0.92 S1PR1 (0.47) S1PR1S1PR3RARBHCAR2PDE3B
SCHEMBL589919 0.92 S1PR1 (0.38) S1PR1S1PR3RARBHCAR2MAPT
SCHEMBL588843 0.91 S1PR1 (0.37) S1PR1S1PR3RARBFFAR4BCL2
SCHEMBL589218 0.91 S1PR1 (0.37) S1PR1S1PR3BLMRARBTP53
SCHEMBL588965 0.90 S1PR1 (0.38) S1PR1S1PR3FFAR4FFAR1LMNA
SCHEMBL589149 0.86 S1PR1 (0.39) S1PR1S1PR3FFAR1
SCHEMBL589581 0.83 FPR2 (0.38) RARBHCAR2
SCHEMBL13968396 0.74 S1PR1 (0.38) S1PR1S1PR3RARBFFAR4FFAR1
SCHEMBL589201 0.71 POLB (0.38) MAPTHTT

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 843/4885S1PR3 583/4885BLM 3919/4885

“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.