SCHEMBL597403

SCHEMBL597403

NCCOP(=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O)OP(=O)(O)O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 7/20 0.62
TSHR P16473 1/20 0.59
GLA P06280 1/20 0.59
LMNA P02545 1/20 0.57
THRB P10828 1/20 0.57
MTOR P42345 1/20 0.57
MDM2 Q00987 1/20 0.57
NCOA1 Q15788 1/20 0.57
NCOA3 Q9Y6Q9 1/20 0.57
P2RY6 Q15077 8/20 0.56
ST6GAL1 P15907 3/20 0.55
P2RY4 P51582 4/20 0.55

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
SCHEMBL28272571 0.92 P2RY2 (0.68) P2RY2TSHRGLALMNATHRB
SCHEMBL4316734 0.91 P2RY2 (0.64) P2RY2TSHRGLALMNATHRB
SCHEMBL8399705 0.89 P2RY2 (0.58) P2RY2TSHRGLALMNATHRB
SCHEMBL6402546 0.89 TSHR (0.65) P2RY2TSHRGLALMNATHRB
SCHEMBL8399850 0.89 P2RY2 (0.58) P2RY2TSHRGLALMNATHRB
SCHEMBL20992890 0.89 P2RY2 (0.74) P2RY2TSHRGLALMNATHRB
Cytarabine 5'-Phosphate SCHEMBL28968855 0.87 P2RY2 (0.69) P2RY2TSHRGLALMNATHRB
SCHEMBL14125515 0.87 P2RY2 (0.62) P2RY2TSHRGLALMNATHRB
SCHEMBL39904 0.86 P2RY2 (0.76) P2RY2P2RY6P2RY4
SCHEMBL532547 0.86 P2RY2 (0.76) P2RY2P2RY6P2RY4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5872108-A Reduction of infarct volume using citicoline INTERNEURON PHARMACEUTICALS, INC. (US) 1999-02-16 US claimed
US-5827832-A Method of protecting brain tissue from cerebral infarction subsequent to ischemia INTERNEURON PHARMACEUTICALS, INC. (US) 1998-10-27 US claimed
US-5801160-A Method of protecting brain tissue from cerebral infarction subsequent to ischemia INTERNEURON PHARMACEUTICALS, INC. (US) 1998-09-01 US claimed
US-4386078-A CYTIDINE DIPHOSPHOETHANOLAMINES AND CYTIDINEDIPHOSPHOCHOLINE; STROKE, CARDIOVASCULAR DISEASE, INJURIES THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1983-05-31 US claimed
US-20230181621-A1 ASPARAGINE SYNTHETASE INHIBITORS AND USES THEREOF OSPEDALE SAN RAFFAELE S.R.L. (IT) 2023-06-15 US disclosed
US-20230172955-A1 ETHANOLAMINE-BASED LIPID BIOSYNTHETIC COMPOUNDS, METHOD OF MAKING AND USE THEREOF METANOI THERAPEUTICS INC (US) 2023-06-08 US disclosed
EP-2618832-B1 COMPOSITION COMPRISING SOD, LUTEIN AND ZEAXANTHIN OMNIVISION GMBH (DE) 2023-06-07 EP disclosed
US-20230144385-A1 ETHANOLAMINE FORMULATION FOR TREATING EPITHELIAL OVARIAN CARCINOMA METANOI THERAPEUTICS, INC. 2023-05-11 US disclosed
US-11607421-B2 Ethanolamine-based lipid biosynthetic compounds, method of making and use thereof METANOI THERAPEUTICS, INC. (US) 2023-03-21 US disclosed
EP-4132490-A1 ETHANOLAMINE FORMULATION FOR TREATING EPITHELIAL OVARIAN CARCINOMA Metanoi Therapeutics, Inc. (US) 2023-02-15 EP disclosed
EP-3965820-A1 COMPOSITIONS AND METHODS FOR PROMOTING HEALTHY NEURAL DEVELOPMENT IN AN UNBORN BABY The Regents of the University of California (US) 2022-03-16 EP disclosed
EP-3847257-A1 ASPARAGINE SYNTHETASE INHIBITORS AND USES THEREOF Ospedale San Raffaele S.r.l. (IT) 2021-07-14 EP disclosed
EP-1379657-A2 DISEASE-ASSOCIATED PROTEIN Novartis AG (CH) 2004-01-14 EP disclosed
US-20020161220-A1 Tetraphosphonate bicyclic trisanhydrides GILEAD PHARMASSET LLC 2002-10-31 US disclosed
WO-2002081513-A2 DISEASE-ASSOCIATED PROTEIN NOVARTIS AG (CH) 2002-10-17 WO disclosed
US-6326490-B1 ANTIPROLIFERATION AGENTS OR ANTICARCINOGENIC AGENTS PHARMASSET, LTD. 2001-12-04 US disclosed
EP-0934325-A4 TETRAPHOSPHONATE BICYCLIC TRISANHYDRIDES PHARMASSET LTD (US) 2000-08-16 EP disclosed
EP-0934325-A1 TETRAPHOSPHONATE BICYCLIC TRISANHYDRIDES Pharmasset, Ltd. (US) 1999-08-11 EP disclosed
WO-1998015563-A1 TETRAPHOSPHONATE BICYCLIC TRISANHYDRIDES PHARMASSET, LTD. (US) 1998-04-16 WO disclosed
US-4386078-A CYTIDINE DIPHOSPHOETHANOLAMINES AND CYTIDINEDIPHOSPHOCHOLINE; STROKE, CARDIOVASCULAR DISEASE, INJURIES THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1983-05-31 US 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 (5 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-20230144385-A1 ETHANOLAMINE FORMULATION FOR TREATING EPITHELIAL OVARIAN CARCINOMA PHOSPHO1, EGLN3, HIF1AN P2RY2 2371/4885TSHR 2306/4885GLA 4071/4885
US-20230181621-A1 ASPARAGINE SYNTHETASE INHIBITORS AND USES THEREOF ASNS, GLS, GLS2 P2RY2 4005/4885TSHR 4100/4885GLA 1579/4885
US-11607421-B2 Ethanolamine-based lipid biosynthetic compounds, method of making and use thereof PHOSPHO1, SGMS2, CHKB P2RY2 4503/4885TSHR 4376/4885GLA 2852/4885
US-20230172955-A1 ETHANOLAMINE-BASED LIPID BIOSYNTHETIC COMPOUNDS, METHOD OF MAKING AND USE THEREOF PHOSPHO1, SGMS2, CHKB P2RY2 4503/4885TSHR 4376/4885GLA 2852/4885
US-20020161220-A1 Tetraphosphonate bicyclic trisanhydrides IDH1, PPIP5K2, DHPS P2RY2 3110/4885TSHR 4045/4885GLA 1102/4885

“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.