SCHEMBL21132894

SCHEMBL21132894

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

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.79
CYP3A4 P08684 12/20 0.79
ADRB2 P07550 1/20 0.73
APLNR P35414 1/20 0.73
OPRK1 P41145 1/20 0.73
GLP1R P43220 1/20 0.73
CX3CR1 P49238 1/20 0.73
FFAR4 Q5NUL3 1/20 0.73
GPR119 Q8TDV5 1/20 0.73

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
SCHEMBL21132895 1.00 GNRHR (0.79) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL26928891 1.00 GNRHR (0.79) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL29707992 1.00 GNRHR (0.79) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL31110348 1.00 GNRHR (0.79) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL2703475 0.94 GNRHR (0.75) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL20547884 0.93 GNRHR (0.86) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL20547883 0.93 GNRHR (0.86) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL28414319 0.93 GNRHR (0.68) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL28414317 0.93 GNRHR (0.68) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL28418497 0.92 GNRHR (0.75) GNRHRCYP3A4ADRB2APLNROPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116425685-A Synthesis method of oxaagoli sodium impurity 安徽联创生物医药股份有限公司 2023-07-14 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 disclosed
CN-116425685-A Synthesis method of oxaagoli sodium impurity 安徽联创生物医药股份有限公司 2023-07-14 CN disclosed
US-11542239-B2 Elagolix sodium compositions and processes ABBVIE INC. (US) 2023-01-03 US disclosed
US-20220242831-A1 IMPROVED PROCESS FOR THE PREPARATION OF ELAGOLIX AND ITS INTERMEDIATES DR. REDDY'S LABORATORIES LIMITED (IN) 2022-08-04 US disclosed
US-11377426-B2 Processes to produce elagolix SUZHOU PENGXU PHARMATECH CO., LTD. (CN) 2022-07-05 US disclosed
US-20210214318-A1 PROCESSES TO PRODUCE ELAGOLIX SUZHOU PENGXU PHARMATECH CO., LTD. (CN) 2021-07-15 US disclosed
WO-2021064561-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF ELAGOLIX SODIUM NEULAND LABORATORIES LIMITED (IN) 2021-04-08 WO disclosed
WO-2021009034-A1 3-[2(R)-AMINO-2-PHENYLETHYL]-5-(2-FLUORO-3-METHOXYPHENYL)-1-[2-FLUORO-6-(TRIFLUOROMETHYL)BENZYL]-6-METHYL-1H-PYRIMIDINE-2,4(1H,3H)-DIONE HYDROCHLORIDE SALT (I) IN SOLID FORM, PROCESS FOR PREPARING SAME, AND USE THEREOF IN THE SYNTHESIS OF ELAGOLIX MOEHS IBERICA, S.L. (ES) 2021-01-21 WO disclosed
WO-2020240375-A1 IMPROVED PROCESS FOR THE PREPARATION OF ELAGOLIX AND ITS INTERMEDIATES DR. REDDY’S LABORATORIES LIMITED (IN) 2020-12-03 WO disclosed
WO-2020194115-A1 PROCESS FOR THE PREPARATION OF ELAGOLIX SODIUM AND INTERMEDIATES THEREOF MANKIND PHARMA LTD. (IN) 2020-10-01 WO disclosed
US-20200138819-A1 GONADOTROPIN-RELEASING HORMONE ANTAGONIST DOSING REGIMENS FOR THE TREATMENT OF ENDOMETRIOSIS KISSEI PHARMACEUTICAL CO., LTD. (JP) 2020-05-07 US disclosed
WO-2019115019-A1 PROCESS FOR PREPARING ELAGOLIX SYNTHON B.V. (NL) 2019-06-20 WO disclosed
WO-2019112968-A1 PROCESSES TO PRODUCE ELAGOLIX WANG PENG (US) 2019-06-13 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 (6 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-11542239-B2 Elagolix sodium compositions and processes ELOVL5, ELOC, ELOVL3 GNRHR 2722/4885CYP3A4 2754/4885ADRB2 2800/4885
US-20200138819-A1 GONADOTROPIN-RELEASING HORMONE ANTAGONIST DOSING REGIMENS FOR THE TREATMENT OF ENDOMETRIOSIS GNRHR, FSHR, LHCGR GNRHR 1/4885CYP3A4 2733/4885ADRB2 612/4885
US-20210214318-A1 PROCESSES TO PRODUCE ELAGOLIX ELAVL1, ELOB, ELOVL3 GNRHR 2201/4885CYP3A4 1948/4885ADRB2 4369/4885
US-20220242831-A1 IMPROVED PROCESS FOR THE PREPARATION OF ELAGOLIX AND ITS INTERMEDIATES PCSK9, XPO5, HAX1 GNRHR 1142/4885CYP3A4 836/4885ADRB2 3452/4885
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 3862/4885ADRB2 1306/4885
US-11377426-B2 Processes to produce elagolix ELAVL1, ELOB, ELOVL3 GNRHR 2201/4885CYP3A4 1948/4885ADRB2 4369/4885

“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.