SCHEMBL590203

SCHEMBL590203

CC(=O)NC1(CCc2ccc(-c3ccc(Sc4cccc(C)c4)cc3F)cc2)COC(C)(C)OC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.47
S1PR3 Q99500 1/20 0.37
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
PTPN11 Q06124 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
RARB P10826 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
BDKRB1 P46663 1/20 0.31
PIK3CA P42336 1/20 0.31
BACE1 P56817 2/20 0.30
PTGES2 Q9H7Z7 1/20 0.30

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 0.92 S1PR1 (0.44) S1PR1S1PR3AKR1C3AKR1C2HCAR2
SCHEMBL589208 0.92 S1PR1 (0.45) S1PR1S1PR3HCAR2RARBPDE3B
SCHEMBL589919 0.90 S1PR1 (0.38) S1PR1S1PR3AKR1C3AKR1C2HCAR2
SCHEMBL589149 0.89 S1PR1 (0.39) S1PR1S1PR3AKR1C3AKR1C2PTPN11
SCHEMBL589218 0.88 S1PR1 (0.37) S1PR1S1PR3RARB
SCHEMBL588843 0.87 S1PR1 (0.37) S1PR1S1PR3AKR1C3AKR1C2RARB
SCHEMBL588965 0.86 S1PR1 (0.38) S1PR1S1PR3AKR1C3AKR1C2
SCHEMBL589581 0.81 FPR2 (0.38) HCAR2RARB
SCHEMBL10168107 0.72 S1PR1 (0.78) S1PR1S1PR3
Hydrochloric Acid SCHEMBL589947 0.71 S1PR1 (0.76) S1PR1S1PR3

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 583/4885AKR1C3 536/4885

“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.