SCHEMBL4531764

SCHEMBL4531764

O=C(O)NC(CO)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.35
TGFBR1 P36897 3/20 0.34
MAPK1 P28482 1/20 0.31

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
SCHEMBL16057541 0.82
SCHEMBL22286768 0.79 ALDH1A1 (0.34) MAPK1
SCHEMBL17777050 0.79 CTRB1 (0.39) TGFBR1MAPK1
SCHEMBL14842064 0.79 CETP (0.37)
SCHEMBL17776992 0.79 CTRB1 (0.39) TGFBR1MAPK1
SCHEMBL7300741 0.79 CTRB1 (0.39) TGFBR1MAPK1
SCHEMBL14842205 0.77 CYP2D6 (0.43)
SCHEMBL16162983 0.77 CYP2D6 (0.31)
SCHEMBL23855055 0.76 TGFBR1 (0.36) OR51E2TGFBR1
SCHEMBL394954 0.76 TGFBR1 (0.36) OR51E2TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2895482-B1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2016-10-19 EP claimed
US-20240101531-A1 PYRIDINAMINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS XENON PHARMACEUTICALS INC. (CA) 2024-03-28 US disclosed
US-20240101555-A1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2024-03-28 US disclosed
EP-4262788-A1 UREA OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2023-10-25 EP disclosed
EP-4259637-A1 H4 ANTAGONIST COMPOUNDS Heptares Therapeutics Limited (GB) 2023-10-18 EP disclosed
WO-2023049885-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE IL-17 INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-03-30 WO disclosed
WO-2022129890-A1 H4 ANTAGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-06-23 WO disclosed
WO-2022132696-A1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-06-23 WO disclosed
CN-107849017-B 1,1, 1-trifluoro-3-hydroxypropan-2-ylcarbamate derivatives and 1,1, 1-trifluoro-4-hydroxybutyl-2-ylcarbamate derivatives as MAGL inhibitors 辉瑞公司 2021-03-30 CN disclosed
CN-107849017-B 1,1, 1-trifluoro-3-hydroxypropan-2-ylcarbamate derivatives and 1,1, 1-trifluoro-4-hydroxybutyl-2-ylcarbamate derivatives as MAGL inhibitors 辉瑞公司 2021-03-30 CN disclosed
WO-2015073767-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-21 WO disclosed
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-14 US disclosed
US-8987456-B2 3-pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-20140303206-A1 3-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-10-09 US disclosed
EP-2763975-A1 3-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (Syk) INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-08-13 EP disclosed
WO-2013052393-A1 3-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (Syk) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-04-11 WO disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
EP-1954287-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-08-13 EP disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 OR51E2 4631/4885TGFBR1 2445/4885MAPK1 3196/4885
US-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 OR51E2 4758/4885TGFBR1 1546/4885MAPK1 342/4885
US-20240101531-A1 PYRIDINAMINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNA1, KCNB1, KCNB2 OR51E2 4473/4885TGFBR1 1228/4885MAPK1 720/4885
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 OR51E2 4073/4885TGFBR1 3387/4885MAPK1 79/4885
US-20140303206-A1 3-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors SYK, BTK, LCK OR51E2 4815/4885TGFBR1 2771/4885MAPK1 520/4885
US-20240101555-A1 UREA OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, UTS2R OR51E2 397/4885TGFBR1 2179/4885MAPK1 3527/4885

“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.