SCHEMBL1642074

SCHEMBL1642074

NC(=O)NCc1c(F)cccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CD38 P28907 14/20 0.52
CYP3A4 P08684 1/20 0.52
KCNH2 Q12809 1/20 0.52
KLKB1 P03952 4/20 0.44
STIM1 Q13586 1/20 0.43
ORAI1 Q96D31 1/20 0.43

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
SCHEMBL28378160 0.85 CD38 (0.47) CD38CYP3A4KCNH2STIM1ORAI1
SCHEMBL127089 0.85 POLB (0.46) CD38
SCHEMBL22622601 0.82 CD38 (0.45) CD38CYP3A4KCNH2KLKB1STIM1
SCHEMBL8772056 0.79 P2RX7 (0.45) CD38CYP3A4KCNH2STIM1ORAI1
SCHEMBL21135383 0.79 POLB (0.49) CD38CYP3A4KCNH2KLKB1STIM1
SCHEMBL29592899 0.79 POLB (0.49) CD38CYP3A4KCNH2KLKB1STIM1
SCHEMBL21136458 0.78 HTT (0.45) CD38CYP3A4KCNH2KLKB1STIM1
SCHEMBL22622587 0.76 CD38 (0.41) CD38CYP3A4KCNH2KLKB1STIM1
SCHEMBL24094008 0.76 HPGD (0.52) CD38KLKB1
SCHEMBL4586644 0.76 EPHX2 (0.57) CD38CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-111333548-B Preparation method of 1- (2-fluoro-6- (trifluoromethyl) benzyl) urea 江苏海悦康医药科技有限公司 2022-04-26 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-111333548-A Preparation method of 1- (2-fluoro-6- (trifluoromethyl) benzyl) urea 江苏海悦康医药科技有限公司 2020-06-26 CN claimed
CN-119552123-A Preparation method of oxaagoli sodium and intermediate thereof 哈药集团技术中心 2025-03-04 CN disclosed
CN-112694445-B Purification method of oxaagole sodium intermediate 成都倍特药业股份有限公司 2023-07-28 CN disclosed
CN-116425684-A Synthesis method of oxaagole sodium intermediate 安徽联创生物医药股份有限公司 2023-07-14 CN disclosed
CN-111333587-B Substituted pyrimidine-2, 4 (1H, 3H) -dione derivatives and uses thereof 东莞市东阳光新药研发有限公司 2023-04-07 CN disclosed
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 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-11542239-B2 Elagolix sodium compositions and processes ABBVIE INC. (US) 2023-01-03 US disclosed
US-7015226-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-03-21 US disclosed
WO-2005113516-A1 URACIL-TYPE GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2005-12-01 WO disclosed
US-20050043338-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-02-24 US disclosed
US-20050038057-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (CA) 2005-02-17 US disclosed
US-20050038056-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-02-17 US disclosed
WO-2005007633-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2005-01-27 WO disclosed
WO-2005007165-A1 PYRIMIDINE-2, 4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2005-01-27 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 (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-20050038056-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR CD38 246/4885CYP3A4 1434/4885KCNH2 1324/4885
US-11542239-B2 Elagolix sodium compositions and processes ELOVL5, ELOC, ELOVL3 CD38 1221/4885CYP3A4 2754/4885KCNH2 4603/4885
US-20050043338-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR CD38 287/4885CYP3A4 1232/4885KCNH2 1444/4885
US-20050038057-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR CD38 245/4885CYP3A4 1565/4885KCNH2 1272/4885
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 CD38 3849/4885CYP3A4 63/4885KCNH2 1190/4885

“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.