SCHEMBL5858699

SCHEMBL5858699

CC(=O)C(C)(O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 14/20 0.39
PDK2 Q15119 14/20 0.39
PDK3 Q15120 14/20 0.39
PDK4 Q16654 14/20 0.39
ALDH1A1 P00352 1/20 0.35
TSHR P16473 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
SCHEMBL14411790 1.00 PDK1 (0.39) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL15374902 1.00 PDK1 (0.39) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL9818516 0.79 TSHR (0.44) ALDH1A1TSHR
SCHEMBL568924 0.78 ALDH1A1 (0.53) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL569205 0.78 ALDH1A1 (0.53) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL568925 0.78 ALDH1A1 (0.53) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL31398303 0.73 TSHR (0.39) ALDH1A1TSHR
SCHEMBL2889294 0.73 PDK1 (0.38) PDK1PDK2PDK3PDK4
SCHEMBL5737910 0.73 PDK1 (0.39) PDK1PDK2PDK3PDK4
SCHEMBL13543292 0.73 PDK1 (0.38) PDK1PDK2PDK3PDK4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024112830-A1 INHIBITORS OF SOLUTE CARRIER FAMILY 6A MEMBER 19 (SLC6A19) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-05-30 WO disclosed
EP-4347033-A1 HYDROXY AND (HALO)ALKOXY SUBSTITUTED TETRAHYDROFURANS AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2024-04-10 EP disclosed
EP-4347031-A1 N-(HYDROXYALKYL (HETERO)ARYL) TETRAHYDROFURAN CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2024-04-10 EP disclosed
EP-4347583-A1 SUBSTITUTED TETRAHYDROFURAN ANALOGS AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2024-04-10 EP disclosed
EP-4347032-A1 SUBSTITUTED TETRAHYDROFURAN-2-CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2024-04-10 EP disclosed
US-11839476-B2 Bio-electrode composition, bio-electrode, and method for manufacturing a bio-electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-12 US disclosed
US-20230009251-A1 N-(HYDROXYALKYL (HETERO)ARYL) TETRAHYDROFURAN CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2023-01-12 US disclosed
WO-2022256622-A1 N-(HYDROXYALKYL (HETERO)ARYL) TETRAHYDROFURAN CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-12-08 WO disclosed
WO-2022256702-A1 SUBSTITUTED TETRAHYDROFURAN-2-CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-12-08 WO disclosed
WO-2022256660-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED TETRAHYDROFURAN MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-12-08 WO disclosed
US-7737279-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-15 US disclosed
US-7307173-B1 Pyrroline chromophores UNIVERSITY OF WASHINGTON (US) 2007-12-11 US disclosed
US-7084283-B2 Synthesis of fluorinated molecules possesing high optical non-linearity LOCKHEED MARTIN CORPORATION (US) 2006-08-01 US disclosed
US-7078542-B2 Nonlinear optical compounds and methods for their preparation UNIVERSITY OF WASHINGTON (US) 2006-07-18 US disclosed
US-7014796-B2 Nonlinear optical compounds and methods for their preparation UNIVERSITY OF WASHINGTON (US) 2006-03-21 US disclosed
US-20050023507-A1 pi-electron donor group bonded to a pi-electron conjugated bridge group bonded to a mono- or dicyanodihydrofuran acceptor; large hyperpolarizability, dipole moment, and electrooptic coefficients; electrooptics UNIVERSITY OF WASHINGTON (US) 2005-02-03 US disclosed
US-20040158084-A1 Synthesis of fluorinated molecules possesing high optical non-linearity LOCKHEED MARTIN CORPORATION 2004-08-12 US disclosed
WO-2004065384-A1 NONLINEAR OPTICAL COMPOUNDS AND METHODS FOR THEIR PREPARATION UNIVERSITY OF WASHINGTON (US) 2004-08-05 WO disclosed
US-20040135130-A1 Nonlinear optical compounds and methods for their preparation UNIVERSITY OF WASHINGTON 2004-07-15 US disclosed
WO-2002076969-A1 SYNTHESIS OF FLUORINATED MOLECULES POSSESSING HIGH OPTICAL NON-LINEARITY LOCKHEED MARTIN CORPORATION (US) 2002-10-03 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 (4 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-20050023507-A1 pi-electron donor group bonded to a pi-electron conjugated bridge group bonded to a mono- or dicyanodihydrofuran acceptor; large hyperpolarizability, dipole moment, and electrooptic coefficients; electrooptics PCNA, ETFA, POF1B PDK1 105/4885PDK2 296/4885PDK3 268/4885
US-20230009251-A1 N-(HYDROXYALKYL (HETERO)ARYL) TETRAHYDROFURAN CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS TRPV1, SCN2A, SCN2B PDK1 4120/4885PDK2 3775/4885PDK3 3486/4885
US-11839476-B2 Bio-electrode composition, bio-electrode, and method for manufacturing a bio-electrode AFF1, AFF4, AFF2 PDK1 3361/4885PDK2 2410/4885PDK3 1608/4885
US-20040158084-A1 Synthesis of fluorinated molecules possesing high optical non-linearity QRFPR, NONO, PARG PDK1 3590/4885PDK2 3744/4885PDK3 3844/4885

“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.