SCHEMBL8160331

SCHEMBL8160331

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MMP8 P22894 2/20 0.43
PKM P14618 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP4F2 P78329 3/20 0.41
CYP4A11 Q02928 3/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.37
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL4427462 0.88 MMP8 (0.47) ALDH1A1LMNAHSD17B10MMP8PKM
SCHEMBL3906498 0.82 MMP8 (0.43) ALDH1A1LMNAHSD17B10MMP8PKM
SCHEMBL31423716 0.82 MMP8 (0.43) ALDH1A1LMNAHSD17B10MMP8PKM
SCHEMBL3903236 0.82 MMP8 (0.43) ALDH1A1LMNAHSD17B10MMP8PKM
SCHEMBL3903232 0.82 MMP8 (0.43) ALDH1A1LMNAHSD17B10MMP8PKM
SCHEMBL14403317 0.80 ALOX15 (0.46) ALDH1A1LMNAHSD17B10MMP8PKM
SCHEMBL14403192 0.80 ALOX15 (0.46) ALDH1A1LMNAHSD17B10MMP8PKM
SCHEMBL15109846 0.80 MMP8 (0.42) ALDH1A1LMNAHSD17B10MMP8PKM
SCHEMBL9068700 0.79 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10PKMMEN1
SCHEMBL125138 0.79 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10MMP8PKM

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3644991-B1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2023-08-02 EP disclosed
US-11339156-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-05-24 US disclosed
US-20210380580-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2021-12-09 US disclosed
EP-3644991-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR Merck Sharp & Dohme Corp. (US) 2020-05-06 EP disclosed
WO-2019005588-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 WO disclosed
WO-2019000237-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 WO disclosed
US-6020502-A Preparation of fluorinated dicarbonyls BNFL FLUOROCHEMICALS LTD. (GB) 2000-02-01 US disclosed
EP-0738248-A1 THE PREPARATION OF DICARBONYLS BNFL FLUOROCHEMICALS LTD. (GB) 1996-10-23 EP disclosed
WO-1995014646-A1 THE PREPARATION OF DICARBONYLS BNFL FLUOROCHEMICALS LTD (GB) 1995-06-01 WO disclosed
US-5262385-A Pyrimidine ring containing MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1993-11-16 US disclosed
EP-0468766-A1 Halogen-containing compounds, herbicidal composition containing the same as an active ingredient, and intermediary compounds therefor Mitsubishi Chemical Corporation (JP) 1992-01-29 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 (2 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-20210380580-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM4, CHRM3, CHRM5 ALDH1A1 2848/4885LMNA 4687/4885HSD17B10 4453/4885
US-11339156-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM3, CHRM5 ALDH1A1 2848/4885LMNA 4687/4885HSD17B10 4453/4885

“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.