SCHEMBL22160068

SCHEMBL22160068

Cc1ccc(S(=O)(=O)OCC2(F)CCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
STAT3 P40763 1/20 0.39
GAA P10253 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
ALDH1A1 P00352 6/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
VDR P11473 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL34473601 0.97 KMT2A (0.45) KMT2ASMN1; SMN2STAT3GAACA12
SCHEMBL21768407 0.93 KMT2A (0.43) KMT2ASMN1; SMN2STAT3GAACA12
SCHEMBL20300353 0.86 HTR6 (0.40) KMT2ASMN1; SMN2STAT3GAACA12
SCHEMBL15471416 0.86 CYP3A4 (0.47) KMT2ASMN1; SMN2STAT3GAACA12
SCHEMBL21216210 0.83 KMT2A (0.40) KMT2ASMN1; SMN2ALDH1A1CYP3A4PKM
SCHEMBL24719153 0.83 KMT2A (0.45) KMT2ASMN1; SMN2STAT3GAACA12
SCHEMBL22236442 0.83 CYP2C19 (0.44) KMT2ASMN1; SMN2ALDH1A1CYP2C19CYP2C9
SCHEMBL29565167 0.83 STAT3 (0.38) KMT2ASMN1; SMN2STAT3GAACA12
SCHEMBL16572209 0.83 STAT3 (0.38) KMT2ASMN1; SMN2STAT3GAACA12
SCHEMBL7849587 0.82 KMT2A (0.50) KMT2ASMN1; SMN2STAT3GAACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3644992-B1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2023-03-29 EP disclosed
US-11149036-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MSD R&D (CHINA) CO., LTD. (CN) 2021-10-19 US disclosed
US-20200207758-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2020-07-02 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 (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-20200207758-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM4, CHRM3, CHRM5 KMT2A 1186/4885SMN1; SMN2 2621/4885STAT3 3976/4885
US-11149036-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM3, CHRM5 KMT2A 1186/4885SMN1; SMN2 2621/4885STAT3 3976/4885

“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.