SCHEMBL4146153

SCHEMBL4146153

COC(=O)[C@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 5/20 0.51
NFKB2 Q00653 5/20 0.51
RELA Q04206 5/20 0.51
BTK Q06187 1/20 0.40
CTSK P43235 2/20 0.38
KDM1A O60341 2/20 0.37
GAA P10253 1/20 0.36
MAOB P27338 1/20 0.36
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL28572940 1.00 NFKB1 (0.51) NFKB1NFKB2RELABTKCTSK
SCHEMBL2134157 1.00 NFKB1 (0.51) NFKB1NFKB2RELABTKCTSK
SCHEMBL13334908 1.00 NFKB1 (0.51) NFKB1NFKB2RELABTKCTSK
SCHEMBL12951314 1.00 NFKB1 (0.51) NFKB1NFKB2RELABTKCTSK
SCHEMBL31454795 1.00 NFKB1 (0.51) NFKB1NFKB2RELABTKCTSK
SCHEMBL2134159 1.00 NFKB1 (0.51) NFKB1NFKB2RELABTKCTSK
SCHEMBL605621 0.86 NFKB1 (0.53) NFKB1NFKB2RELABTKCTSK
SCHEMBL4951462 0.86 NFKB1 (0.53) NFKB1NFKB2RELABTKCTSK
SCHEMBL5270119 0.86 NFKB1 (0.53) NFKB1NFKB2RELABTKCTSK
SCHEMBL605148 0.86 NFKB1 (0.53) NFKB1NFKB2RELABTKCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3440173-B1 STABLE LIQUID DETERGENT COMPOSITION CONTAINING SELF-STRUCTURING SURFACTANT SYSTEM PROCTER & GAMBLE (US) 2024-05-08 EP claimed
US-6562861-B1 (1R,3R,4R,1'S)-(-)-(1'-acetylamino-2 '-ethyl)butyl-4-(aminoimino)methylaminocyclopentan-1-carboxylic acid was prepd. and tested in vitro as neuraminidase inhibitor (IC50 less-than 1.mu.M). Bactericides or viricides BIOCRYST PHARMACEUTICALS, INC. 2003-05-13 US claimed
US-20260035335-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2026-02-05 US disclosed
US-12528822-B2 Cycloalkane-1,3-diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2026-01-20 US disclosed
US-20250313524-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2025-10-09 US disclosed
US-20250302678-A1 ABSORBENT ARTICLES INCLUDING PERFUME AND CYCLODEXTRINS PROCTER & GAMBLE (US) 2025-10-02 US disclosed
US-12325646-B2 Fertigation water treatment UNIVERSITY OF GUELPH (CA) 2025-06-10 US disclosed
WO-2025106788-A1 PI3Kα INHIBITORS AND METHODS OF MAKING AND USING THE SAME RELAY THERAPEUTICS, INC. (US) 2025-05-22 WO disclosed
EP-4522583-A2 PI3K ALPHA INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2025-03-19 EP disclosed
US-20250019364-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. (US) 2025-01-16 US disclosed
US-20240400784-A1 Method for Screening Solvent for Extracting Polyvinyl Chloride, Method for Recycling Waste, Recycled Polyvinyl Chloride, and Composition LG CHEM, LTD. (KR) 2024-12-05 US disclosed
US-7230008-B2 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity MERCK & CO, INC. (US) 2007-06-12 US disclosed
US-7038059-B2 Process for preparation of 4-n-substituted amino-2-aza-1-oxabicyclo[3.3.0] oct-2-ene-6-carboxylic acid esters and process for preparation of their intermediates KURARAY CO., LTD. (JP) 2006-05-02 US disclosed
US-20060020133-A1 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION 2006-01-26 US disclosed
US-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2005-09-01 US disclosed
US-20040121482-A1 Process for preparation of 4-n-substituted amino-2-aza-1-oxabicyclo[3.3.0] oct-2-ene-6-carboxylic acid esters and process for preparation of their intermediates KURARAY CO., LTD. (JP) 2004-06-24 US disclosed
EP-1210324-B1 SUBSTITUTED CYCLOPENTENES, THEIR PREPARATION AND THEIR USE FOR CHIRAL SCAFFOLDS CHIROTECH TECHNOLOGY LTD (GB) 2004-03-31 EP disclosed
EP-1334969-A1 PROCESS FOR PREPARATION OF 4-N-SUBSTITUTED AMINO-2-AZA-1-OXABICYCLO 3.3.0]OCT-2-ENE-6-CARBOXYLIC ACID ESTERS AND PROCESS FOR PREPARATION OF THEIR INTERMEDIATES KURARAY CO., LTD. (JP) 2003-08-13 EP disclosed
US-6593489-B1 Catalytic stereoselective hydrogenation CHIROTECHTECHNOLOGY LIMITED (GB) 2003-07-15 US disclosed
US-6562861-B1 (1R,3R,4R,1'S)-(-)-(1'-acetylamino-2 '-ethyl)butyl-4-(aminoimino)methylaminocyclopentan-1-carboxylic acid was prepd. and tested in vitro as neuraminidase inhibitor (IC50 less-than 1.mu.M). Bactericides or viricides BIOCRYST PHARMACEUTICALS, INC. 2003-05-13 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 (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-20250313524-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF PIK3CA, PIK3CB, PIK3CD NFKB1 1350/4885NFKB2 986/4885RELA 871/4885
US-20060020133-A1 3-aminocyclopentanecarboxamides as modulators of chemokine receptors CCR5, ACKR3, CXCR3 NFKB1 916/4885NFKB2 1518/4885RELA 829/4885
US-20250019364-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 NFKB1 126/4885NFKB2 99/4885RELA 313/4885
US-20260035335-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF PIK3CD, PIK3CG, PIK3CB NFKB1 3120/4885NFKB2 2987/4885RELA 3547/4885
US-12528822-B2 Cycloalkane-1,3-diamine derivative MLLT1, MLLT3, PRMT6 NFKB1 2464/4885NFKB2 2073/4885RELA 1628/4885
US-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof DPP4, DPP3, DPP7 NFKB1 3836/4885NFKB2 4420/4885RELA 4836/4885

“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.