SCHEMBL29799847

SCHEMBL29799847

COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 1.00
CYP3A4 P08684 7/20 1.00

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
SCHEMBL1643197 1.00 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL1643199 1.00 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL1643200 1.00 GNRHR (1.00) GNRHRCYP3A4
Hydrochloric Acid SCHEMBL29816173 0.99 GNRHR (0.98) GNRHRCYP3A4
Oxalic Acid SCHEMBL29816324 0.97 GNRHR (0.94) GNRHRCYP3A4
SCHEMBL5758028 0.92 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL5758037 0.92 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL30299007 0.92 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL5758034 0.92 GNRHR (1.00) GNRHRCYP3A4
Salicylic Acid SCHEMBL28522582 0.92 GNRHR (0.85) GNRHRCYP3A4

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118772067-A Method for purifying oxaagole sodium intermediate 金陵药业股份有限公司 2024-10-15 CN claimed
CN-114790178-B Preparation method of oxaagoli sodium 福安药业集团宁波天衡制药有限公司 2024-04-09 CN claimed
CN-114814038-B HPLC detection method for sodium Igacross bulk drug and related substances thereof 常州制药厂有限公司 2023-06-13 CN claimed
CN-114814038-A HPLC detection method for ilagox sodium raw material medicine and related substances thereof 常州制药厂有限公司 2022-07-29 CN claimed
CN-114790178-A Preparation method of oxa-goril sodium 福安药业集团宁波天衡制药有限公司 2022-07-26 CN claimed
CN-118772067-A Method for purifying oxaagole sodium intermediate 金陵药业股份有限公司 2024-10-15 CN disclosed
CN-118772067-A Method for purifying oxaagole sodium intermediate 金陵药业股份有限公司 2024-10-15 CN disclosed
CN-114790178-B Preparation method of oxaagoli sodium 福安药业集团宁波天衡制药有限公司 2024-04-09 CN disclosed
CN-117545484-A Oxaagoli sodium composition 上海启晟合研医药科技有限公司 2024-02-09 CN disclosed
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 disclosed
CN-111072572-B Crystal forms of hydrogen sulfate of Elagolix key intermediate, preparation and application thereof 安礼特(上海)医药科技有限公司 2023-10-24 CN disclosed
CN-114814038-B HPLC detection method for sodium Igacross bulk drug and related substances thereof 常州制药厂有限公司 2023-06-13 CN disclosed
CN-116026966-A Detection method for determining related substances of oxaagole sodium by HPLC 哈药集团技术中心 2023-04-28 CN disclosed
CN-110498770-B Method for preparing intermediate of oxaagolide 上海医药工业研究院 2023-02-17 CN disclosed
CN-110498771-B Method for preparing intermediate of pergolide 上海医药工业研究院 2023-02-17 CN disclosed
US-20220411382-A1 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) 2022-12-29 US disclosed
CN-115466224-A Salt forming method and purification method of oxalagogri intermediate I 成都倍特药业股份有限公司 2022-12-13 CN disclosed
WO-2022222886-A1 ELAGOLIX SODIUM COMPOSITION 上海启晟合研医药科技有限公司 2022-10-27 WO disclosed
CN-114814038-A HPLC detection method for ilagox sodium raw material medicine and related substances thereof 常州制药厂有限公司 2022-07-29 CN disclosed
CN-114790178-A Preparation method of oxa-goril sodium 福安药业集团宁波天衡制药有限公司 2022-07-26 CN 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 (2 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-20220411382-A1 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 GNRHR 4166/4885CYP3A4 3862/4885
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 GNRHR 4166/4885CYP3A4 3862/4885

“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.