SCHEMBL2525977

SCHEMBL2525977

C=CCOC[C@H](CO)OP(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.36
SMPD1 P17405 3/20 0.30
LPAR2 Q9HBW0 1/20 0.30
LPAR3 Q9UBY5 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
SCHEMBL170149 1.00 CA1 (0.39) CA1CA2CA7CA9SMPD1
Choline SCHEMBL16267506 0.87 MEN1 (0.32) CA1CA2CA7
SCHEMBL8722298 0.86 CA1 (0.37) CA1CA2CA7CA9
SCHEMBL28412357 0.84 CA1 (0.38) CA1CA2CA7CA9
SCHEMBL958656 0.84 LPAR3 (0.40) CA1CA2CA7CA9LPAR2
SCHEMBL8015659 0.83 CA1 (0.35) CA1CA2CA7CA9
SCHEMBL7833013 0.83 CA1 (0.33) CA1CA2CA7CA9
SCHEMBL958655 0.83 CA1 (0.37) CA1CA2CA7CA9
SCHEMBL15290149 0.81 CA1 (0.36) CA1CA2CA7CA9SMPD1
SCHEMBL28066491 0.81 CA1 (0.36) CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674529-A1 LIPID PRODRUGS FOR ORAL ADMINISTRATION NeXstar Pharmaceuticals, Inc. (US) 1995-10-04 EP claimed
WO-1994013324-A1 LIPID PRODRUGS FOR ORAL ADMINISTRATION VESTAR, INC. (US) 1994-06-23 WO claimed
EP-2850070-B1 BENZO[1,3]DIOXINE DERIVATIVES AND THEIR USE AS LPAR5 ANTAGONISTS SANOFI SA (FR) 2017-08-23 EP disclosed
EP-2850062-B1 PYRIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CONDITIONS ASSOCIATED WITH PATHOLOGICAL THROMBUS FORMATION SANOFI SA (FR) 2017-07-19 EP disclosed
US-9346762-B2 Pyrazole derivatives and their use as LPAR5 antagonists SANOFI (FR) 2016-05-24 US disclosed
US-9346757-B2 Pyridine derivatives and their use in the treatment of conditions associated with pathological thrombus formation SANOFI (FR) 2016-05-24 US disclosed
US-9221784-B2 Benzo[1,3]dioxine derivatives and their use as LPAR5 antagonists SANOFI (FR) 2015-12-29 US disclosed
US-20150141477-A1 Pyrazole Derivatives And Their Use As LPAR5 Antagonists SANOFI (FR) 2015-05-21 US disclosed
US-20150141471-A1 Pyridine Derivatives And Their Use In The Treatment Of Conditions Associated With Pathological Thrombus Formation SANOFI (FR) 2015-05-21 US disclosed
US-20150111889-A1 Benzo[1,3]Dioxine Derivatives And Their Use As LPAR5 Antagonists SANOFI (FR) 2015-04-23 US disclosed
US-20140309186-A1 Metabolomics-Based Identification of Disease-Causing Agents GEORGIA TECH RESEARCH CORPORATION 2014-10-16 US disclosed
EP-0837630-A4 PRODRUGS OF PHARMACEUTICALS WITH IMPROVED BIOAVAILABILITY UNIV CALIFORNIA (US) 1998-11-25 EP disclosed
US-5827831-A Lipid nucleotide analog prodrugs for oral administration NEXSTAR PHARMACEUTICALS, INC. (US) 1998-10-27 US disclosed
EP-0837630-A1 PRODRUGS OF PHARMACEUTICALS WITH IMPROVED BIOAVAILABILITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-04-29 EP disclosed
US-5744592-A IMPROVING THE BIOAVAILABILITY AND ABSORPTION OF A DRUG THROUGH THE DIGESTIVE TRACT BY COVALENTLY BONDING THE DRUG AND A 1-O-OR-S-ALKYL-SN-GLYCERO-3-PHOSPHATE NEXSTAR PHARMACEUTICALS, INC. (US) 1998-04-28 US disclosed
WO-1996039831-A1 PRODRUGS OF PHARMACEUTICALS WITH IMPROVED BIOAVAILABILITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-12-19 WO disclosed
US-5484809-A ANTITUMOR VESTAR, INC. (US) 1996-01-16 US disclosed
EP-0674529-A1 LIPID PRODRUGS FOR ORAL ADMINISTRATION NeXstar Pharmaceuticals, Inc. (US) 1995-10-04 EP disclosed
US-5411947-A converting drugs having suitable functional groups to 1-O-alkyl-, 1-O-acyl-, 1-S-acyl, and 1-S-alkyl-sn-glycero-3-phosphate derivatives; drugs such as AZT, cladribine, AICA-Riboside VESTAR, INC. (US) 1995-05-02 US disclosed
WO-1994013324-A1 LIPID PRODRUGS FOR ORAL ADMINISTRATION VESTAR, INC. (US) 1994-06-23 WO 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 (3 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-20150141471-A1 Pyridine Derivatives And Their Use In The Treatment Of Conditions Associated With Pathological Thrombus Formation LPAR5, LPAR1, LPAR3 CA1 3002/4885CA2 1939/4885CA7 4105/4885
US-20150111889-A1 Benzo[1,3]Dioxine Derivatives And Their Use As LPAR5 Antagonists LPAR5, LPAR1, LPAR2 CA1 3351/4885CA2 2288/4885CA7 4086/4885
US-20150141477-A1 Pyrazole Derivatives And Their Use As LPAR5 Antagonists LPAR5, LPAR3, LPAR1 CA1 3067/4885CA2 2172/4885CA7 4024/4885

“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.