SCHEMBL3392313

SCHEMBL3392313

CCCCCCCCCCCCCc1ccc(CCC(N)(CO)CO)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 1.00
S1PR3 Q99500 9/20 1.00
S1PR4 O95977 7/20 1.00
TNNC1 P63316 6/20 1.00
S1PR5 Q9H228 5/20 1.00
SGPL1 O95470 1/20 1.00
GPR183 P32249 1/20 1.00
CERS2 Q96G23 1/20 1.00
SPHK2 Q9NRA0 3/20 0.78
SPHK1 Q9NYA1 1/20 0.78
S1PR2 O95136 5/20 0.74
ENPP2 Q13822 1/20 0.70

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
SCHEMBL3391728 1.00 S1PR1 (1.00) S1PR1S1PR3S1PR4TNNC1S1PR5
SCHEMBL1372656 1.00 S1PR1 (1.00) S1PR1S1PR3S1PR4TNNC1S1PR5
SCHEMBL3394554 1.00 S1PR1 (1.00) S1PR1S1PR3S1PR4TNNC1S1PR5
SCHEMBL3389578 1.00 S1PR1 (1.00) S1PR1S1PR3S1PR4TNNC1S1PR5
SCHEMBL3394797 1.00 S1PR1 (1.00) S1PR1S1PR3S1PR4TNNC1S1PR5
SCHEMBL3390328 1.00 S1PR1 (1.00) S1PR1S1PR3S1PR4TNNC1S1PR5
SCHEMBL18904548 1.00 S1PR1 (1.00) S1PR1S1PR3S1PR4TNNC1S1PR5
Fingolimod SCHEMBL7445 1.00 S1PR1 (1.00) S1PR1S1PR3S1PR4TNNC1S1PR5
SCHEMBL3393539 1.00 S1PR1 (1.00) S1PR1S1PR3S1PR4TNNC1S1PR5
Hydrochloric Acid SCHEMBL8500527 0.98 S1PR1 (1.00) S1PR1S1PR3S1PR4TNNC1S1PR5

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524887-B2 2-amino-1,3-propanediol compounds for the treatment of acute pain SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-04-28 US claimed
EP-1635803-B1 USE OF 2-AMINO-1-3-PROPANEDIOL DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF VARIOUS TYPES OF PAIN SANOFI AVENTIS DEUTSCHLAND (DE) 2009-03-04 EP claimed
EP-1635803-A1 USE OF 2-AMINO-1-3-PROPANEDIOL DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF VARIOUS TYPES OF PAIN Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP claimed
WO-2004110421-A1 USE OF 2-AMINO-1-3-PROPANEDIOL DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF VARIOUS TYPES OF PAIN SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-12-23 WO claimed
US-20040248988-A1 2-Amino-1,3-propanediol compounds for the treatment of various types of pain AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-12-09 US claimed
EP-1484057-A1 USE OF 2-AMINO-1-3-PROPANEDIOL DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF VARIOUS TYPES OF PAIN Aventis Pharma Deutschland GmbH (DE) 2004-12-08 EP claimed
EP-0627406-B1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL (JP) 1998-10-28 EP claimed
EP-0627406-A1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-12-07 EP claimed
EP-1987066-B1 METHODS FOR TREATING DEMYELINATING DISEASES UNIV ZUERICH (CH) 2010-12-29 EP disclosed
US-20090136450-A1 THERAPY FOR NEUROLOGICAL DISEASES ARES TRADING S.A. (CH) 2009-05-28 US disclosed
US-7524887-B2 2-amino-1,3-propanediol compounds for the treatment of acute pain SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-04-28 US disclosed
EP-1635803-B1 USE OF 2-AMINO-1-3-PROPANEDIOL DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF VARIOUS TYPES OF PAIN SANOFI AVENTIS DEUTSCHLAND (DE) 2009-03-04 EP disclosed
US-20080317710-A1 Methods For Treating Autoimmune or Demyelinating Diseases UNIVERSITY OF ZURICH (CH) 2008-12-25 US disclosed
US-20080292590-A1 Soluble Receptors and Methods for Treating Autoimmune or Demyelinating Diseases UNIVERSITY OF ZURICH (CH) 2008-11-27 US disclosed
EP-1484057-A1 USE OF 2-AMINO-1-3-PROPANEDIOL DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF VARIOUS TYPES OF PAIN Aventis Pharma Deutschland GmbH (DE) 2004-12-08 EP disclosed
US-5952316-A FOR TREATING AUTOIMMUNE DISEASES, E.G., RHEUMATIOD ARTHRITIS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-14 US disclosed
EP-0627406-B1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL (JP) 1998-10-28 EP disclosed
US-5719176-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-02-17 US disclosed
US-5604229-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-18 US disclosed
EP-0627406-A1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-12-07 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 (4 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-20080292590-A1 Soluble Receptors and Methods for Treating Autoimmune or Demyelinating Diseases IL15RA, IL2RA, IL1RN S1PR1 65/4885S1PR3 91/4885S1PR4 87/4885
US-20040248988-A1 2-Amino-1,3-propanediol compounds for the treatment of various types of pain PTGER1, PTGER2, PTGER3 S1PR1 1462/4885S1PR3 884/4885S1PR4 2615/4885
US-20080317710-A1 Methods For Treating Autoimmune or Demyelinating Diseases IL18, IL15RA, IL2RA S1PR1 144/4885S1PR3 147/4885S1PR4 186/4885
US-20090136450-A1 THERAPY FOR NEUROLOGICAL DISEASES KIT, NGF, PMP22 S1PR1 377/4885S1PR3 479/4885S1PR4 671/4885

“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.