SCHEMBL1623537

SCHEMBL1623537

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
TET2 Q6N021 6/20 0.40
KDM4A O75164 2/20 0.40
KDM4C Q9H3R0 2/20 0.40
KDM2A Q9Y2K7 2/20 0.40
TET3 O43151 2/20 0.40
HTT P42858 1/20 0.37
TET1 Q8NFU7 1/20 0.37
GPR84 Q9NQS5 3/20 0.34
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
FFAR1 O14842 1/20 0.34
TSHR P16473 2/20 0.33
CYP2C9 P11712 1/20 0.32

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
SCHEMBL29199307 0.97 OR51E2 (0.43) OR51E2SMN1; SMN2TET2KDM4AKDM4C
SCHEMBL14783031 0.77 HTT (0.35) OR51E2TET2HTTTSHR
SCHEMBL18634509 0.76 TET2 (0.50) OR51E2SMN1; SMN2TET2KDM4AKDM4C
SCHEMBL14533958 0.76 HTT (0.36) HTT
SCHEMBL15619373 0.76 TET2 (0.50) OR51E2SMN1; SMN2TET2KDM4AKDM4C
SCHEMBL14533959 0.76 HTT (0.36) HTT
SCHEMBL15717565 0.76 HTT (0.36) HTT
SCHEMBL27576207 0.75 OR51E2 (0.39) OR51E2SMN1; SMN2TET2KDM4AKDM4C
SCHEMBL19825149 0.74 CHRM1 (0.38) HTT
SCHEMBL11873875 0.72 OR51E2 (0.46) OR51E2SMN1; SMN2TET2KDM4AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1455663-A Novel aerosol formulation containing polar fluorinated molecule ASTRAZENECA AB (SE) 2003-11-12 CN claimed
JP-11322665-A None JP disclosed
JP-11075889-A None JP disclosed
EP-4143195-B1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2025-05-21 EP disclosed
US-12024524-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2024-07-02 US disclosed
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 US disclosed
US-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 US disclosed
US-11691979-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-04 US disclosed
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 EP disclosed
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 EP disclosed
US-20060173018-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 US disclosed
WO-2006028904-A9 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2006-06-22 WO disclosed
WO-2006028904-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-03-16 WO disclosed
CN-1455663-A Novel aerosol formulation containing polar fluorinated molecule ASTRAZENECA AB (SE) 2003-11-12 CN disclosed
JP-2003079392-A METHOD FOR PRODUCING OPTICALLY ACTIVE α- TRIFLUOROMETHYLLACTIC ACID MITSUBISHI RAYON CO LTD 2003-03-18 JP disclosed
JP-H11322665-A PURIFICATION OF OPTICALLY ACTIVE ALPHA-TRIFLUOROMETHYL LACTIC ACID MITSUBISHI RAYON CO LTD 1999-11-24 JP disclosed
JP-H1175889-A PRODUCTION AND PURIFICATION OF OPTICALLY ACTIVE ALPHA-TRIFLUOROMETHYLLACTIC ACID AND ITS ENANTIOMER ESTER MITSUBISHI RAYON CO LTD 1999-03-23 JP disclosed
US-5180417-A 4-((aryloxy)phenoxy)fluoroalkanoic acid derivatives and their herbicidal uses DOWELANCO (US) 1993-01-19 US disclosed
US-5118836-A OPTICALLY ACTIVE FLUORINE-CONTAINING 3-HYDROXYBUTYRIC ACID ESTERS AND PROCESS FOR PRODUCING THE SAME SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) 1992-06-02 US disclosed
US-5032168-A 4-((aryloxy)phenoxy)fluoroalkanoic acid derivatives and their herbicidal uses DOWELANCO (US) 1991-07-16 US 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 (5 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-11691979-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 OR51E2 3583/4885SMN1; SMN2 3490/4885TET2 1928/4885
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 OR51E2 3583/4885SMN1; SMN2 3490/4885TET2 1928/4885
US-12024524-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 OR51E2 3583/4885SMN1; SMN2 3490/4885TET2 1928/4885
US-11702422-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 OR51E2 3583/4885SMN1; SMN2 3490/4885TET2 1928/4885
US-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 OR51E2 3133/4885SMN1; SMN2 994/4885TET2 2711/4885

“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.