SCHEMBL588792

SCHEMBL588792

Cc1ccc(Sc2ccc(-c3ccc(CCC(N)(CO)CO)cc3)c(F)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.76
S1PR3 Q99500 7/20 0.63
TNNC1 P63316 5/20 0.41
SGPL1 O95470 1/20 0.41
S1PR4 O95977 1/20 0.41
GPR183 P32249 1/20 0.41
CERS2 Q96G23 1/20 0.41
S1PR5 Q9H228 1/20 0.41
BACE1 P56817 1/20 0.38

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
SCHEMBL590838 0.94 S1PR1 (0.75) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL589819 0.91 S1PR1 (0.64) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL591204 0.91 S1PR1 (0.65) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL10168107 0.90 S1PR1 (0.78) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL10168117 0.90 S1PR1 (0.63) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL10168129 0.90 S1PR1 (0.66) S1PR1S1PR3BACE1
SCHEMBL10168104 0.89 S1PR1 (0.76) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL589108 0.89 S1PR1 (0.63) S1PR1S1PR3TNNC1SGPL1S1PR4
Hydrochloric Acid SCHEMBL589947 0.89 S1PR1 (0.76) S1PR1S1PR3TNNC1SGPL1S1PR4
Hydrochloric Acid SCHEMBL590266 0.89 S1PR1 (0.65) S1PR1S1PR3BACE1

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 20 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 claimed
US-8114902-B2 2-aminobutanol compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-02-14 US claimed
US-20090082311-A1 2-Aminobutanol Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-26 US claimed
EP-2017257-A1 2-AMINOBUTANOL COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2009-01-21 EP claimed
US-9663511-B2 Sphingosine 1-phosphate receptor antagonists Arroyo BioSciences, LLC (US) 2017-05-30 US disclosed
EP-2831072-B1 NOVEL SPHINGOSINE 1-PHOSPHATE RECEPTOR ANTAGONISTS ARROYO BIOSCIENCES L L C (US) 2017-04-19 EP disclosed
US-20150045332-A1 Novel Sphingosine 1-Phosphate Receptor Antagonists ARROYO BIOSCIENCES L.L.C. 2015-02-12 US disclosed
EP-2831072-A1 NOVEL SPHINGOSINE 1-PHOSPHATE RECEPTOR ANTAGONISTS Swenson, Rolf E. (US) 2015-02-04 EP disclosed
WO-2014158302-A1 NOVEL SPHINGOSINE 1-PHOSPHATE RECEPTOR ANTAGONISTS SWENSON ROLF ERIC (US) 2014-10-02 WO disclosed
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
WO-2013148460-A1 NOVEL SPHINGOSINE 1-PHOSPHATE RECEPTOR ANTAGONISTS SWENSON ROLF E (US) 2013-10-03 WO 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 (2 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-20150045332-A1 Novel Sphingosine 1-Phosphate Receptor Antagonists S1PR2, S1PR1, S1PR5 S1PR1 2/4885S1PR3 4/4885TNNC1 2198/4885
US-20090082311-A1 2-Aminobutanol Compound and Use Thereof for Medical Purposes ADRB2, ADRB1, ADRB3 S1PR1 843/4885S1PR3 583/4885TNNC1 486/4885

“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.