SCHEMBL4160654

SCHEMBL4160654

CC(C)(C)OC(=O)N[C@@H](COS(C)(=O)=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.49
CTSS P25774 3/20 0.49
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
PKM P14618 2/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 2/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.45
ALOX15 P16050 1/20 0.45
XBP1 P17861 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MAPT P10636 3/20 0.44

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
SCHEMBL669318 1.00 CTSK (0.49) CTSKCTSSALDH1A1LMNAPKM
SCHEMBL669317 1.00 CTSK (0.49) CTSKCTSSALDH1A1LMNAPKM
SCHEMBL1643165 0.87 CTSK (0.47) CTSKCTSSALDH1A1LMNAPKM
SCHEMBL19954205 0.87 CTSK (0.47) CTSKCTSSALDH1A1LMNAPKM
SCHEMBL3337069 0.87 CTSS (0.43) CTSKCTSSALDH1A1LMNAPKM
SCHEMBL391352 0.87 PPARG (0.42) CTSKCTSSALDH1A1LMNAPKM
SCHEMBL1642073 0.87 CTSK (0.47) CTSKCTSSALDH1A1LMNAPKM
SCHEMBL16805937 0.87 HPGD (0.46) CTSKCTSSALDH1A1LMNAPKM
SCHEMBL21509860 0.86 ALDH1A1 (0.46) CTSKCTSSALDH1A1LMNAPKM
SCHEMBL21509779 0.86 CACNA1B (0.43) CTSKCTSSALDH1A1HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220242831-A1 IMPROVED PROCESS FOR THE PREPARATION OF ELAGOLIX AND ITS INTERMEDIATES DR. REDDY'S LABORATORIES LIMITED (IN) 2022-08-04 US claimed
US-20250084042-A1 Elagolix Sodium Compositions and Processes ABBVIE INC. 2025-03-13 US disclosed
US-20250011333-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2025-01-09 US disclosed
WO-2024010810-A2 FC CONJUGATES INCLUDING AN INHIBITOR OF CD73 AND USES THEREOF CIDARA THERAPEUTICS, INC. (US) 2024-01-11 WO 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-115856138-A Method for separating and determining related substances in oxa-degril sodium by using HPLC (high performance liquid chromatography) 安徽联创生物医药股份有限公司 2023-03-28 CN disclosed
US-11542239-B2 Elagolix sodium compositions and processes ABBVIE INC. (US) 2023-01-03 US 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
US-11498903-B2 2-(1,1′-biphenyl)-1H-benzodimidazole derivatives and related compounds as apelin and APJ agonists for treating cardiovascular diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2022-11-15 US disclosed
US-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 US disclosed
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
EP-1192132-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
WO-2001096303-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed
WO-2000076971-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed
EP-0365045-B1 Perhydrothiazepine derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1993-12-01 EP disclosed
EP-0161801-B1 PERHYDROTHIAZEPINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANKYO COMPANY LIMITED (JP) 1990-11-07 EP disclosed
EP-0365045-A1 Perhydrothiazepine derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1990-04-25 EP disclosed
US-4699905-A HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 1987-10-13 US disclosed
EP-0161801-A2 Perhydrothiazepine derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1985-11-21 EP 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 (8 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 CTSK 4797/4885CTSS 4867/4885ALDH1A1 1234/4885
US-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES QDPR, SIRT5, PDXK CTSK 1358/4885CTSS 1873/4885ALDH1A1 767/4885
US-11542239-B2 Elagolix sodium compositions and processes ELOVL5, ELOC, ELOVL3 CTSK 2635/4885CTSS 3505/4885ALDH1A1 1582/4885
US-20250084042-A1 Elagolix Sodium Compositions and Processes ELOVL5, ELOC, ELOVL3 CTSK 2635/4885CTSS 3505/4885ALDH1A1 1582/4885
US-20250011333-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 CTSK 965/4885CTSS 2805/4885ALDH1A1 3081/4885
US-11498903-B2 2-(1,1′-biphenyl)-1H-benzodimidazole derivatives and related compounds as apelin and APJ agonists for treating cardiovascular diseases APLNR, AP3B1, AP2B1 CTSK 2246/4885CTSS 4522/4885ALDH1A1 558/4885
US-20220242831-A1 IMPROVED PROCESS FOR THE PREPARATION OF ELAGOLIX AND ITS INTERMEDIATES PCSK9, XPO5, HAX1 CTSK 2386/4885CTSS 3193/4885ALDH1A1 1721/4885
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 CTSK 4797/4885CTSS 4867/4885ALDH1A1 1234/4885

“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.