SCHEMBL961668

SCHEMBL961668

CCOC(=O)C(=CN(C)C)C(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.47
NPSR1 Q6W5P4 4/20 0.43
GLO1 Q04760 1/20 0.43
ALDH1A1 P00352 2/20 0.39
CYP2D6 P10635 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
MAPT P10636 5/20 0.38
LMNA P02545 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 2/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
USP2 O75604 1/20 0.35
IDE P14735 1/20 0.35
TNNI3 P19429 1/20 0.35
TNNT2 P45379 1/20 0.35
TNNC1 P63316 1/20 0.35

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
SCHEMBL12947626 1.00 CYP2C9 (0.47) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL961667 1.00 CYP2C9 (0.47) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL18134660 0.88 CYP2C9 (0.46) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL3594318 0.87 CYP2C9 (0.45) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL21975389 0.87 CYP2C9 (0.49) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL18936322 0.87 CYP2C9 (0.45) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL18134656 0.85 CYP2C9 (0.44) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL1406245 0.85 NPSR1 (0.42) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL18936311 0.85 NPSR1 (0.42) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL1014223 0.84 CYP2C9 (0.49) CYP2C9NPSR1GLO1ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247577-B2 METHOD FOR THE REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER IP GMBH (DE) 2022-04-27 EP claimed
EP-2247577-B1 METHOD FOR THE REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER IP GMBH (DE) 2015-12-23 EP claimed
US-8629288-B2 Method for the regioselective synthesis of 1-alky1-3-haloalkyl-pyrazole-4-carboxylic acid derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-14 US claimed
US-20110009642-A1 Method for the Regioselective Synthesis of 1-Alkyl-3-haloalkyl-pyrazole-4-carboxylic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2011-01-13 US claimed
EP-2133341-A1 Method for regioselective synthesis of 1-alkyl-3-haloalkyl-1-pyrazol-4-carbonic acid derivatives Bayer CropScience AG (DE) 2009-12-16 EP claimed
US-6207828-B1 REACTING TRIHALOACETYL COMPOUND WITH AN ACETAL IN PRESENCE OF AN ORGANIC ACID ROLM AND HAAS COMPANY 2001-03-27 US claimed
EP-1000926-A1 Process for making 2-(trihaloacetyl)-3-(substituted aminos)-2-propenoates ROHM AND HAAS COMPANY (US) 2000-05-17 EP claimed
US-20250243190-A1 NEW DEUTERATED RORGAMMA/RORGAMMAT INVERSE AGONISTS IMMUNIC AG (DE) 2025-07-31 US disclosed
WO-2025105858-A1 HETEROARYL-DERIVATIVE COMPOUND AND USE THEREOF (주)신테카바이오 2025-05-22 WO disclosed
WO-2025105857-A1 HETEROARYL-DERIVATIVE COMPOUND AND USE THEREOF (주)신테카바이오 2025-05-22 WO disclosed
EP-4508049-A1 DEUTERATED RORGAMMA/RORGAMMAT INVERSE AGONISTS Immunic AG (DE) 2025-02-19 EP disclosed
WO-2023198873-A1 DEUTERATED RORGAMMA/RORGAMMAT INVERSE AGONISTS IMMUNIC AG (DE) 2023-10-19 WO disclosed
EP-4074708-A1 1-(4-(ISOXAZOL-5-YL)-1H-PYRAZOL-1-YL)-2-METHYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS IL-7 AND IFN-GAMMA INHIBITORS FOR TREATING AUTOIMMUNE DISEASES AND CHRONIC INFLAMMATION Immunic AG (DE) 2022-10-19 EP disclosed
US-20040147561-A1 Pyrid-2-one derivatives and methods of use SYNGENTA CROP PROTECTION AG (CH) 2004-07-29 US disclosed
WO-2004060890-A1 2-OXOPYRIDIN-3-YL THIA (DI) AZOLE DERIVATES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES AMGEN INC. (US) 2004-07-22 WO disclosed
US-6706911-B1 REACTING N-SUBSTITUTED 3-AMINOACRYLIC ESTERS WITH HALOALKYLCARBOXYLIC ANHYDRIDES IN PRESENCE OF BASE; PYRAZOLE-4-CARBOXYLIC ACID CHEMICAL INTERMEDIATES; HALOACYLATION BAYER AKTIENGESELLSCHAFT (DE) 2004-03-16 US disclosed
WO-2003051820-A1 METHOD FOR PRODUCING 2-HALOGENACYL-3-AMINO-ACRYLIC ACID DERIVATIVES BAYER CHEMICALS AG (DE) 2003-06-26 WO disclosed
US-6207828-B1 REACTING TRIHALOACETYL COMPOUND WITH AN ACETAL IN PRESENCE OF AN ORGANIC ACID ROLM AND HAAS COMPANY 2001-03-27 US disclosed
JP-2000143593-A PRODUCTION OF 2-(TRIHALOACETYL)-3-(SUBSTITUTED AMINO)-2- PROPENOATE ROHM & HAAS CO 2000-05-23 JP disclosed
EP-1000926-A1 Process for making 2-(trihaloacetyl)-3-(substituted aminos)-2-propenoates ROHM AND HAAS COMPANY (US) 2000-05-17 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 (3 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-20110009642-A1 Method for the Regioselective Synthesis of 1-Alkyl-3-haloalkyl-pyrazole-4-carboxylic Acid Derivatives ATL3, HCAR3, AADAC CYP2C9 422/4885NPSR1 2992/4885GLO1 1936/4885
US-20250243190-A1 NEW DEUTERATED RORGAMMA/RORGAMMAT INVERSE AGONISTS RORB, RORA, RORC CYP2C9 2000/4885NPSR1 161/4885GLO1 4699/4885
US-20040147561-A1 Pyrid-2-one derivatives and methods of use PLPBP, PNPO, PDXK CYP2C9 344/4885NPSR1 3531/4885GLO1 921/4885

“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.