SCHEMBL23779385

SCHEMBL23779385

Cc1ccc(S(=O)(=O)OCCC(C)(C)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
STAT3 P40763 1/20 0.40
GAA P10253 1/20 0.39
PSMD10 O75832 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
VDR P11473 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 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
SCHEMBL30378826 0.88 CA12 (0.42) CA12CA1CA9ALDH1A1MEN1
SCHEMBL283201 0.88 CA12 (0.42) CA12CA1CA9ALDH1A1MEN1
SCHEMBL6002078 0.86 ALDH1A1 (0.43) CA12CA1CA9ALDH1A1MEN1
SCHEMBL1502260 0.86 STAT3 (0.44) CA12CA1CA9ALDH1A1MEN1
SCHEMBL9995667 0.85 CA12 (0.40) CA12CA1CA9ALDH1A1MEN1
SCHEMBL29171179 0.85 ALDH1A1 (0.42) CA12CA1CA9ALDH1A1MEN1
SCHEMBL20568751 0.84 ALDH1A1 (0.44) CA12CA1CA9ALDH1A1MEN1
SCHEMBL15270828 0.84 CA12 (0.40) CA12CA1CA9ALDH1A1MEN1
SCHEMBL21618125 0.83 ALDH1A1 (0.53) CA12CA1CA9ALDH1A1MEN1
SCHEMBL31625997 0.83 STAT3 (0.43) CA12CA1CA9ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873467-B1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2024-08-28 EP disclosed
US-11970479-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME LLC (US) 2024-04-30 US disclosed
US-20210395224-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2021-12-23 US disclosed
EP-3873467-A2 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR Merck Sharp & Dohme Corp. (US) 2021-09-08 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-11970479-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM3, CHRM1 CA12 1974/4885CA1 981/4885CA9 3361/4885
US-20210395224-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM4, CHRM3, CHRM1 CA12 1974/4885CA1 981/4885CA9 3361/4885

“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.