SCHEMBL3980427

SCHEMBL3980427

CC(C)(C)OC1CC(CO)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
POLB P06746 1/20 0.43
HTR2C P28335 1/20 0.43
AGTR2 P50052 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ITGB1 P05556 2/20 0.40
ITGA5 P08648 2/20 0.40
ITGB3 P05106 1/20 0.40

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
SCHEMBL3902022 1.00 ABCB1 (0.45) ABCB1PDK1PDK2PDK3PDK4
SCHEMBL3979696 0.90 BDKRB2 (0.49) ABCB1PDK1PDK2PDK3PDK4
SCHEMBL6319947 0.87 POLB (0.45) PDK1PDK2PDK3PDK4POLB
SCHEMBL23364636 0.86 ABCB1 (0.42) ABCB1PDK1PDK2PDK3PDK4
SCHEMBL23364640 0.86 PDK1 (0.52) ABCB1PDK1PDK2PDK3PDK4
SCHEMBL12849550 0.86 PDK1 (0.52) ABCB1PDK1PDK2PDK3PDK4
SCHEMBL5561213 0.85 ABCB1 (0.49) ABCB1PDK1PDK2PDK3PDK4
SCHEMBL30054860 0.85 ABCB1 (0.44) ABCB1PDK1PDK2PDK3PDK4
SCHEMBL18569430 0.85 ABCB1 (0.44) ABCB1PDK1PDK2PDK3PDK4
SCHEMBL16402973 0.85 ABCB1 (0.44) ABCB1PDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025129104-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS INC. (US) 2025-06-19 WO disclosed
US-20240002374-A1 5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY GENZYME CORPORATION 2024-01-04 US disclosed
EP-4058439-A1 5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY Genzyme Corporation (US) 2022-09-21 EP disclosed
CN-115003659-A 5-membered heteroaryl amino sulfonamides for the treatment of conditions mediated by a deficiency in CFTR activity 健赞公司 2022-09-02 CN disclosed
WO-2021097057-A1 5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY GENZYME CORPORATION (US) 2021-05-20 WO disclosed
EP-2018381-A2 USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-28 EP disclosed
WO-2007121918-A2 USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 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 (1 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-20240002374-A1 5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY CFTR, PKD2, PKD1 ABCB1 24/4885PDK1 2922/4885PDK2 2770/4885

“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.