SCHEMBL1740707

SCHEMBL1740707

Cc1c(Br)c(=O)[nH]c(=O)n1Cc1c(F)cccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GNRHR P30968 16/20 0.39
CYP3A4 P08684 1/20 0.39
FABP4 P15090 1/20 0.38
STIM1 Q13586 1/20 0.36
ORAI1 Q96D31 1/20 0.36

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
SCHEMBL124962 0.89 ALDH1A1 (0.51) ALDH1A1HPGDGNRHR
SCHEMBL23110398 0.88 HPGD (0.41) HPGDTSHRHSD17B10GNRHRCYP3A4
SCHEMBL23193855 0.87 ALDH1A1 (0.44) ALDH1A1HPGDTSHRHSD17B10GNRHR
SCHEMBL1642571 0.86 HPGD (0.39) HPGDTSHRHSD17B10GNRHRCYP3A4
SCHEMBL12648510 0.86 GNRHR (0.40) HPGDTSHRHSD17B10GNRHRCYP3A4
SCHEMBL23595084 0.85 FABP4 (0.37) HPGDTSHRHSD17B10GNRHRCYP3A4
SCHEMBL4027176 0.83 PKM (0.47) ALDH1A1GNRHR
SCHEMBL22702886 0.81 HPGD (0.41) HPGDTSHRHSD17B10GNRHRCYP3A4
SCHEMBL7644570 0.80 ALDH1A1 (0.44) ALDH1A1HPGDTSHRGNRHRCYP3A4
SCHEMBL1739351 0.79 GNRHR (0.46) GNRHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20230072265-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) 2023-03-09 US claimed
CN-114641468-A 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 ] -butyric acid (ELAGOLIX sodium salt) and intermediates of said process 工业化学有限公司 2022-06-17 CN 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
CN-116283797-B Synthesis method of oxaagoli sodium 浙江车头制药股份有限公司 2024-11-29 CN disclosed
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 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
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
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 disclosed
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 disclosed
CN-116283797-A Synthesis method of oxaagoli sodium 浙江车头制药股份有限公司 2023-06-23 CN disclosed
US-20230144828-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONIST AND USE THEREOF SHANGHAI INNOFORTUNE BOITECH CO. LTD. (CN) 2023-05-11 US disclosed
US-20080262005-A1 Uracil-Type Gonadotropin-Releasing Hormone Receptor Antagonists and Methods Related Thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-10-23 US disclosed
US-20080262005-A1 Uracil-Type Gonadotropin-Releasing Hormone Receptor Antagonists and Methods Related Thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-10-23 US disclosed
US-20080262005-A1 Uracil-Type Gonadotropin-Releasing Hormone Receptor Antagonists and Methods Related Thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-10-23 US disclosed
US-7419983-B2 e.g. 3-[{hydroxycarbonylpropyl-amino}-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1H,3H)-dione; sex-hormone related diseases; anticarcinogenic agent; endometriosis, uterine fibroids, polycystic ovarian disease NEUROCRINE BIOSCIENCES, INC. (US) 2008-09-02 US disclosed
US-20070191403-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2007-08-16 US disclosed
EP-1660091-A1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2006-05-31 EP disclosed
WO-2005113516-A1 URACIL-TYPE GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2005-12-01 WO disclosed
WO-2005007164-A1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2005-01-27 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-20070191403-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR ALDH1A1 3158/4885HPGD 1158/4885TSHR 50/4885
US-20080262005-A1 Uracil-Type Gonadotropin-Releasing Hormone Receptor Antagonists and Methods Related Thereto GNRHR, FSHR, GHRHR ALDH1A1 2067/4885HPGD 1772/4885TSHR 42/4885
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 ALDH1A1 110/4885HPGD 3964/4885TSHR 3719/4885
US-20230144828-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONIST AND USE THEREOF GNRHR, GHRHR, LHCGR ALDH1A1 4081/4885HPGD 2544/4885TSHR 318/4885
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 ALDH1A1 1234/4885HPGD 4848/4885TSHR 517/4885
US-20230072265-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 BPNT1, GABRA6, GABRA1 ALDH1A1 31/4885HPGD 2311/4885TSHR 3072/4885

“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.