SCHEMBL18213

SCHEMBL18213

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
STAT3 P40763 1/20 0.40
GAA P10253 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
ALDH1A1 P00352 5/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 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
SCHEMBL17902 0.98 KMT2A (0.53) KMT2ASMN1; SMN2STAT3GAACA12
SCHEMBL3598688 0.97 KMT2A (0.50) KMT2ASMN1; SMN2STAT3GAACA12
SCHEMBL16641783 0.93 KMT2A (0.49) KMT2ASMN1; SMN2STAT3GAACA12
SCHEMBL18487231 0.88 KMT2A (0.43) KMT2ASMN1; SMN2STAT3GAACA12
SCHEMBL20421536 0.88 KMT2A (0.43) KMT2ASMN1; SMN2STAT3GAACA12
SCHEMBL17385962 0.88 KMT2A (0.45) KMT2ASMN1; SMN2STAT3GAACA12
SCHEMBL17385959 0.86 KMT2A (0.44) KMT2ASMN1; SMN2STAT3GAACA12
SCHEMBL17386324 0.86 KMT2A (0.42) KMT2ASMN1; SMN2STAT3GAACA12
SCHEMBL10171744 0.86 CYP3A4 (0.48) KMT2ASMN1; SMN2STAT3GAACA12
SCHEMBL17005 0.86 KMT2A (0.42) 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 24 patents — showing the first 20. 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
EP-3644990-B1 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2022-11-30 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-10981902-B2 5-(pyridin-3-yl)oxazole allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2021-04-20 US disclosed
US-10933056-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2021-03-02 US disclosed
EP-3769763-A1 3-(1H-PYRAZOL-4-YL) PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2021-01-27 EP disclosed
EP-3393472-B1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (US) 2020-08-12 EP 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
EP-3644992-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
EP-3644990-A1 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR Merck Sharp & Dohme Corp. (US) 2020-05-06 EP disclosed
US-20190000824-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 US disclosed
WO-2019005589-A1 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 WO disclosed
EP-3393472-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR Merck Sharp & Dohme Corp. (US) 2018-10-31 EP disclosed
EP-3317269-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF H. Hoffnabb-La Roche Ag (CH) 2018-05-09 EP disclosed
WO-2017107089-A1 3- (1H-PYRAZOL-4-YL) PYRIDINEALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2017-06-29 WO disclosed
WO-2017112556-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2017-06-29 WO disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 US disclosed
WO-2017004500-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-05 WO disclosed
WO-2012025857-A1 CYCLOALKYL METHOXYBENZYL PHENYL PYRAN DERIVATIVES AS SODIUM DEPENDENT GLUCOSE CO TRANSPORTER (SGLT2) INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2012-03-01 WO disclosed
WO-2012025857-A1 CYCLOALKYL METHOXYBENZYL PHENYL PYRAN DERIVATIVES AS SODIUM DEPENDENT GLUCOSE CO TRANSPORTER (SGLT2) INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2012-03-01 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 (6 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-10981902-B2 5-(pyridin-3-yl)oxazole allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM5, CHRM4, CHRM3 KMT2A 1854/4885SMN1; SMN2 2097/4885STAT3 4420/4885
US-20190000824-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM4, CHRM5, CHRM3 KMT2A 1113/4885SMN1; SMN2 2715/4885STAT3 4045/4885
US-10933056-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
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 KMT2A 3390/4885SMN1; SMN2 3272/4885STAT3 4878/4885
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.