SCHEMBL903624

SCHEMBL903624

CCCCCCCCc1ccc(CCC(CO)(CO)NC(C)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.60
S1PR4 O95977 7/20 0.60
S1PR3 Q99500 7/20 0.60
TNNC1 P63316 5/20 0.60
S1PR5 Q9H228 5/20 0.60
SGPL1 O95470 1/20 0.60
GPR183 P32249 1/20 0.60
CERS2 Q96G23 1/20 0.60
SPHK2 Q9NRA0 3/20 0.51
S1PR2 O95136 5/20 0.49
SPHK1 Q9NYA1 1/20 0.49
ENPP2 Q13822 1/20 0.48
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
FAAH O00519 1/20 0.48

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
SCHEMBL8499619 1.00 S1PR1 (0.60) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL8496762 1.00 S1PR1 (0.60) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL8501555 1.00 S1PR1 (0.60) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL16919264 0.90 S1PR1 (0.52) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL17427772 0.88 PLK1 (0.44) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL18630036 0.87 S1PR1 (0.55) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL15796686 0.87 S1PR1 (0.46) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL18618719 0.87 S1PR1 (0.55) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL8496714 0.87 S1PR1 (0.56) S1PR1S1PR4S1PR3S1PR5
SCHEMBL12064836 0.87 TNNC1 (0.43) S1PR1S1PR4S1PR3TNNC1S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964210-B1 A PROCESS FOR THE PREPARATION OF 2-AMINO-1,3-PROPANE DIOL COMPOUNDS AND SALTS THEREOF BIOCON LTD (IN) 2023-10-04 EP claimed
US-9815772-B2 Process for the preparation of 2-amino-1,3-propane diol compounds and salts thereof BIOCON LIMITED (IN) 2017-11-14 US claimed
US-20160009634-A1 A PROCESS FOR THE PREPARATION OF 2-AMINO-1,3-PROPANE DIOL COMPOUNDS AND SALTS THEREOF BIOCON LIMITED (IN) 2016-01-14 US claimed
EP-2964210-A2 A PROCESS FOR THE PREPARATION OF 2-AMINO-1,3-PROPANE DIOL COMPOUNDS AND SALTS THEREOF Biocon Limited (IN) 2016-01-13 EP claimed
US-20150290145-A1 Compositions and Methods for the Treatment of Parkinson's Disease TEXAS TECH UNIVERSITY SYSTEM 2015-10-15 US claimed
WO-2014136047-A2 A PROCESS FOR THE PREPARATION OF 2-AMINO-1,3-PROPANE DIOL COMPOUNDS AND SALTS THEREOF BIOCON LIMITED (IN) 2014-09-12 WO claimed
WO-2014063057-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S DISEASE TEXAS TECH UNIVERSITY SYSTEM (US) 2014-04-24 WO claimed
EP-2964210-B1 A PROCESS FOR THE PREPARATION OF 2-AMINO-1,3-PROPANE DIOL COMPOUNDS AND SALTS THEREOF BIOCON LTD (IN) 2023-10-04 EP disclosed
US-10391066-B2 Compositions and methods for the treatment of Parkinson's disease TEXAS TECH UNIVERSITY SYSTEM (US) 2019-08-27 US disclosed
US-10391066-B2 Compositions and methods for the treatment of Parkinson's disease TEXAS TECH UNIVERSITY SYSTEM (US) 2019-08-27 US disclosed
EP-2896609-B1 Crystalline fingolimod citrate for the treatment of relapsing-remitting multiple sclerosis RATIOPHARM GMBH (DE) 2018-06-27 EP disclosed
US-9994638-B2 Peptide core-based multi-arm linkers for treating infectious diseases Immunwork Inc. (TW) 2018-06-12 US disclosed
US-9988454-B2 Peptide core-based multi-arm linkers for treating central nervous system diseases Immunwork Inc. (TW) 2018-06-05 US disclosed
US-7638637-B2 Immunomodulators; amino-functional imidazole phosphonates and analogues thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-12-29 US disclosed
US-20070088002-A1 Orally available sphingosine 1-phosphate receptor agonists and antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-04-19 US 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-20070088002-A1 Orally available sphingosine 1-phosphate receptor agonists and antagonists S1PR3, S1PR1, S1PR5 S1PR1 2/4885S1PR4 4/4885S1PR3 1/4885
US-20160009634-A1 A PROCESS FOR THE PREPARATION OF 2-AMINO-1,3-PROPANE DIOL COMPOUNDS AND SALTS THEREOF ADH1C, DRD2, ADH1A S1PR1 1162/4885S1PR4 1520/4885S1PR3 847/4885
US-20150290145-A1 Compositions and Methods for the Treatment of Parkinson's Disease PARK7, SNCA, COMT S1PR1 390/4885S1PR4 545/4885S1PR3 298/4885
US-10391066-B2 Compositions and methods for the treatment of Parkinson's disease PARK7, SNCA, COMT S1PR1 390/4885S1PR4 545/4885S1PR3 298/4885

“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.