SCHEMBL126401

SCHEMBL126401

COc1cccc(B(O)O)c1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.63
ORAI1 Q96D31 1/20 0.55
ORAI2 Q96SN7 1/20 0.55
ORAI3 Q9BRQ5 1/20 0.55
TP53 P04637 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42

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
SCHEMBL29427098 1.00 ENPP2 (0.63) ENPP2ORAI1ORAI2ORAI3TP53
SCHEMBL4973256 0.83 ENPP2 (0.45) ENPP2ORAI1ORAI2ORAI3LMNA
SCHEMBL23077788 0.82 ENPP2 (0.45) ENPP2ORAI1ORAI2ORAI3TP53
SCHEMBL29470875 0.81 ENPP2 (0.48) ENPP2ORAI1ORAI2ORAI3LMNA
SCHEMBL1445093 0.81 ENPP2 (0.48) ENPP2ORAI1ORAI2ORAI3LMNA
SCHEMBL25745449 0.79 ENPP2 (0.42) ENPP2ORAI1ORAI2ORAI3MAPT
SCHEMBL630768 0.79 CA1 (0.58) ENPP2ORAI1ORAI2ORAI3TP53
SCHEMBL2031080 0.79 ENPP2 (0.42) ENPP2ORAI1ORAI2ORAI3LMNA
SCHEMBL29957207 0.79 ENPP2 (0.42) ENPP2ORAI1ORAI2ORAI3KDM4E
SCHEMBL29952273 0.79 ENPP2 (0.42) ENPP2ORAI1ORAI2ORAI3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250194617-A1 Materials and Methods for Extending Shelf-Life of Foods JP LABORATORIES, INC. 2025-06-19 US claimed
US-20250169514-A1 Materials and Methods for Extending Shelf-Life of Foods JP LABORATORIES, INC. 2025-05-29 US claimed
CN-116283797-B Synthesis method of oxaagoli sodium 浙江车头制药股份有限公司 2024-11-29 CN claimed
CN-114641468-B Process for synthesizing ELAGOLIX sodium salt and intermediate of said process 工业化学有限公司 2024-11-12 CN claimed
CN-117624061-A Production process of oxaagoli sodium 宣城美诺华药业有限公司 2024-03-01 CN claimed
US-11858901-B2 3-((R)-2-(amino-2-phenylethyl)-1-(2-fluoro-6 trifluoromethyl benzyl)-5-iodo-6-methyl-1H-pyrimidine-2,4-dione or a salt thereof, process for its preparation, and its use in the synthesis of elagolix MOEHS IBERICA, S.L. (ES) 2024-01-02 US claimed
US-11840519-B2 Process for the synthesis of the sodium salt of 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)-phenyl]methyl]-3,6-dihydro-4-methyl-2.6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino]-butanoic acid (elagolix sodium salt) and intermediates of said process INDUSTRIALE CHIMICA S.R.L. (IT) 2023-12-12 US claimed
US-20230380457-A1 Materials and Methods for Extending Shelf-Life of Foods JP LABORATORIES, INC. 2023-11-30 US claimed
EP-4280882-A2 MATERIALS AND METHODS FOR EXTENDING SHELF-LIFE OF FOODS JP LABORATORIES, INC. (US) 2023-11-29 EP claimed
US-20230363426-A1 Materials and Methods for Extending Shelf-Life of Foods JP LABORATORIES, INC. 2023-11-16 US claimed
WO-2021130776-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF 4-({(1 R)-2-[5-(2-FLUORO-3METHOXYPHENYL)-3-{[2-FLUORO-6-(TRIFLUORO METHYL) PHENYL]METHYL}-4-METHYL-2,6-DIOXO-3,6DIHYDROPYRIMIDIN-1(2 H)-YL]-1-PHENYLETHYL}AMINO)BUTANOIC ACID OR ITS PHARMACEUTICALLY ACCEPTABLE SALTS MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2021-07-01 WO claimed
WO-2021044230-A1 PROCESS FOR THE SYNTHESIS OF THE SODIUM SALT OF 4-[[(LR)-2-[5-(2-FLUORO-3-METHOXYPHENYL)-3-[[2-FLUORO-6-(TRIFLUOROMETHYL)-PHENYL]METHYL]-3,6-DIHYDRO-4-METHYL-2,6-DIOXO-L(2H)-PYRIMIDINYL]-L- PHENYLETHYL]AMINO]-BUTANOIC ACID (ELAGOLIX SODIUM SALT) AND INTERMEDIATES OF SAID PROCESS INDUSTRIALE CHIMICA S.R.L. (IT) 2021-03-11 WO claimed
WO-2020240375-A1 IMPROVED PROCESS FOR THE PREPARATION OF ELAGOLIX AND ITS INTERMEDIATES DR. REDDY’S LABORATORIES LIMITED (IN) 2020-12-03 WO claimed
CN-110204498-B Method for efficiently synthesizing oxagoril intermediate 奥锐特药业股份有限公司 2020-11-27 CN claimed
CN-110204498-A A method of it efficiently synthesizes and dislikes La Geli intermediate 奥锐特药业股份有限公司 2019-09-06 CN claimed
WO-2018198086-A1 PROCESS FOR THE PREPARATION OF ELAGOLIX AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LUPIN LIMITED (IN) 2018-11-01 WO claimed
US-8361484-B2 Polymer systems for lung volume reduction therapy AERIS THERAPEUTICS, INC. (US) 2013-01-29 US claimed
US-20100040538-A1 Polymer Systems for Lung Volume Reduction Therapy CANADIAN IMPERIAL BANK OF COMMERCE (CA) 2010-02-18 US claimed
EP-2059227-A2 POLYMER SYSTEMS FOR LUNG VOLUME REDUCTION THERAPY Aeris Therapeutics, Inc. (US) 2009-05-20 EP claimed
WO-2008039827-A2 POLYMER SYSTEMS FOR LUNG VOLUME REDUCTION THERAPY AERIS THERAPEUTICS, INC. (US) 2008-04-03 WO claimed

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-20100040538-A1 Polymer Systems for Lung Volume Reduction Therapy GFER, MUC1, CTH ENPP2 854/4885ORAI1 3414/4885ORAI2 4022/4885
US-11840519-B2 Process for the synthesis of the sodium salt of 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)-phenyl]methyl]-3,6-dihydro-4-methyl-2.6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino]-butanoic acid (elagolix sodium salt) and intermediates of said process ELP1, BPNT1, EPX ENPP2 452/4885ORAI1 1965/4885ORAI2 1808/4885
US-11858901-B2 3-((R)-2-(amino-2-phenylethyl)-1-(2-fluoro-6 trifluoromethyl benzyl)-5-iodo-6-methyl-1H-pyrimidine-2,4-dione or a salt thereof, process for its preparation, and its use in the synthesis of elagolix JAK2, EML4, AZI2 ENPP2 530/4885ORAI1 4424/4885ORAI2 2188/4885

“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.