SCHEMBL589561

SCHEMBL589561

CC(=O)NC1(CCc2ccc(-c3ccc(Sc4ccccc4)cc3F)cc2)COC(C)(C)OC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.44
S1PR3 Q99500 1/20 0.44
HCAR2 Q8TDS4 2/20 0.37
RARB P10826 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
BACE1 P56817 2/20 0.33
RORC P51449 1/20 0.33
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
PTGS1 P23219 3/20 0.32
MEN1 O00255 2/20 0.32
PTGS2 P35354 2/20 0.32
KMT2A Q03164 2/20 0.32
FABP2 P12104 1/20 0.32
TSHR P16473 1/20 0.32
AKR1C4 P17516 1/20 0.32

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
SCHEMBL589208 0.93 S1PR1 (0.45) S1PR1S1PR3HCAR2RARBLMNA
SCHEMBL590203 0.92 S1PR1 (0.47) S1PR1S1PR3HCAR2RARBBACE1
SCHEMBL588843 0.91 S1PR1 (0.37) S1PR1S1PR3RARBCA12CA1
SCHEMBL588965 0.90 S1PR1 (0.38) S1PR1S1PR3CA2CA4AKR1C3
SCHEMBL589919 0.90 S1PR1 (0.38) S1PR1S1PR3HCAR2RARBAKR1C3
SCHEMBL589149 0.90 S1PR1 (0.39) S1PR1S1PR3AKR1C3AKR1C2
SCHEMBL589218 0.85 S1PR1 (0.37) S1PR1S1PR3RARBHPGD
SCHEMBL589581 0.83 FPR2 (0.38) HCAR2RARB
SCHEMBL13968396 0.74 S1PR1 (0.38) S1PR1S1PR3RARBAKR1C3AKR1C2
SCHEMBL589201 0.71 POLB (0.38) MEN1KMT2ACYP1A2MAPT

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 583/4885HCAR2 56/4885

“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.