SCHEMBL961667

SCHEMBL961667

CCOC(=O)/C(=C\N(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
SCHEMBL961668 1.00 CYP2C9 (0.47) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL12947626 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 75 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
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-12594275-B2 Immunophilin binding agents and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2026-04-07 US disclosed
US-12558356-B2 Immunophilin binding agents and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2026-02-24 US disclosed
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
US-20250108052-A1 IMMUNOPHILIN BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2025-04-03 US disclosed
EP-4508049-A1 DEUTERATED RORGAMMA/RORGAMMAT INVERSE AGONISTS Immunic AG (DE) 2025-02-19 EP disclosed
WO-2007107470-A2 PYRAZOLES AS 11-BETA-HSD-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 WO disclosed
US-20060241151-A1 Pyrid-2-one derivatives and methods of use AMGEN, INC. (US) 2006-10-26 US disclosed
EP-1575947-A1 2-OXOPYRIDIN-3-YL THIA(DI)AZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES Amgen Inc. (US) 2005-09-21 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-6207828-B1 REACTING TRIHALOACETYL COMPOUND WITH AN ACETAL IN PRESENCE OF AN ORGANIC ACID ROLM AND HAAS COMPANY 2001-03-27 US 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 (7 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-12594275-B2 Immunophilin binding agents and uses thereof CCR1, CCRL2, CCR3 CYP2C9 2613/4885NPSR1 460/4885GLO1 3794/4885
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-20250108052-A1 IMMUNOPHILIN BINDING AGENTS AND USES THEREOF SERPINA6, SELPLG, FABP7 CYP2C9 4047/4885NPSR1 1452/4885GLO1 3387/4885
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
US-20060241151-A1 Pyrid-2-one derivatives and methods of use PLPBP, PNPO, PDXK CYP2C9 309/4885NPSR1 3457/4885GLO1 1002/4885
US-12558356-B2 Immunophilin binding agents and uses thereof CCRL2, CFB, CCR3 CYP2C9 2040/4885NPSR1 530/4885GLO1 4131/4885

“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.