SCHEMBL4742018

SCHEMBL4742018

NS(=O)(=O)CC1CCOCC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
AOC2 O75106 2/20 0.32
MAOA P21397 1/20 0.32
KCNH2 Q12809 1/20 0.31
GBA1 P04062 2/20 0.30

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
Hydrochloric Acid SCHEMBL20502624 0.98 AKT1 (0.33) AKT1PIK3CAMTORAOC2MAOA
SCHEMBL4771641 0.86 AOC2 (0.38) AKT1PIK3CAMTORAOC2MAOA
SCHEMBL626034 0.82
Hydrochloric Acid SCHEMBL3709128 0.79
SCHEMBL1795365 0.77 CA2 (0.37)
SCHEMBL636443 0.77
SCHEMBL3352759 0.76 INPP5A (0.47) AKT1PIK3CAMTORAOC2MAOA
SCHEMBL2930696 0.76 AOC2 (0.32) AKT1PIK3CAMTORAOC2MAOA
SCHEMBL1272503 0.76 KCNH2 (0.31) AKT1PIK3CAMTORKCNH2
SCHEMBL4940256 0.76 KCNH2 (0.34) AKT1PIK3CAMTORKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121372-B1 ADENINE DERIVATIVES PFIZER LTD (GB) 2006-06-28 EP claimed
US-6326359-B1 PURINE DERIVATIVES PFIZER INC 2001-12-04 US claimed
EP-1121372-A1 ADENINE DERIVATIVES Pfizer Limited (GB) 2001-08-08 EP claimed
WO-2000023457-A1 ADENINE DERIVATIVES PFIZER LIMITED (GB) 2000-04-27 WO claimed
US-20230139597-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2023-05-04 US disclosed
US-20230139597-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2023-05-04 US disclosed
US-20210017177-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2021-01-21 US disclosed
US-10793568-B2 Hormone receptor modulators for treating metabolic conditions and disorders ARDELYX, INC. (US) 2020-10-06 US disclosed
EP-3227262-B1 SULFIDE ALKYL AND PYRIDYL REVERSE SULFONAMIDE COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS INC (US) 2020-05-13 EP disclosed
US-10428041-B2 Pyridyl reverse sulfonamides for HBV treatment NOVIRA THERAPEUTICS, INC. (US) 2019-10-01 US disclosed
US-20190233420-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. 2019-08-01 US disclosed
US-20190152940-A1 Pyridyl Reverse Sulfonamides For HBV Treatment NOVIRA THERAPEUTICS, INC. 2019-05-23 US disclosed
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC. 2016-06-30 US disclosed
WO-2016089990-A1 SULFIDE ALKYL AND PYRIDYL REVERSE SULFONAMIDE COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC. (US) 2016-06-09 WO disclosed
US-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate ASTRAZENECA AB (SE) 2008-08-21 US disclosed
WO-2008085119-A1 NEW PYRIDINE ANALOGUES VIII 518 ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
EP-1121372-B1 ADENINE DERIVATIVES PFIZER LTD (GB) 2006-06-28 EP disclosed
US-6326359-B1 PURINE DERIVATIVES PFIZER INC 2001-12-04 US disclosed
EP-1121372-A1 ADENINE DERIVATIVES Pfizer Limited (GB) 2001-08-08 EP disclosed
WO-2000023457-A1 ADENINE DERIVATIVES PFIZER LIMITED (GB) 2000-04-27 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 (8 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-20190152940-A1 Pyridyl Reverse Sulfonamides For HBV Treatment HAVCR2, HCCS, NR1H4 AKT1 3908/4885PIK3CA 2872/4885MTOR 3188/4885
US-10428041-B2 Pyridyl reverse sulfonamides for HBV treatment HAVCR2, HCCS, NR1H4 AKT1 3908/4885PIK3CA 2872/4885MTOR 3188/4885
US-20230139597-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R AKT1 2709/4885PIK3CA 1559/4885MTOR 1946/4885
US-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate P2RY12, P2RY13, P2RY11 AKT1 2648/4885PIK3CA 1076/4885MTOR 3073/4885
US-10793568-B2 Hormone receptor modulators for treating metabolic conditions and disorders NR1H4, FXR1, GLP1R AKT1 2814/4885PIK3CA 1500/4885MTOR 2163/4885
US-20190233420-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R AKT1 2814/4885PIK3CA 1500/4885MTOR 2163/4885
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT HAVCR2, HCCS, NR1H4 AKT1 3908/4885PIK3CA 2872/4885MTOR 3188/4885
US-20210017177-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R AKT1 2709/4885PIK3CA 1559/4885MTOR 1946/4885

“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.