SCHEMBL450129

SCHEMBL450129

Cc1ccc(S(=O)(=O)OC[C@@H]2COC(=O)N2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.39
CYP3A4 P08684 3/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
STAT3 P40763 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
IRAK4 Q9NWZ3 3/20 0.36
VDR P11473 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CRBN Q96SW2 1/20 0.34
LMNA P02545 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
SCHEMBL15878904 1.00 CYP2D6 (0.39) CYP2D6CYP3A4TSHRALDH1A1CYP2C9
SCHEMBL450130 1.00 CYP2D6 (0.39) CYP2D6CYP3A4TSHRALDH1A1CYP2C9
SCHEMBL17823577 0.81 ALDH1A1 (0.37) CYP2D6CYP3A4TSHRALDH1A1CYP2C9
SCHEMBL3632337 0.81 ALDH1A1 (0.37) CYP2D6CYP3A4TSHRALDH1A1CYP2C9
SCHEMBL17832663 0.81 ALDH1A1 (0.37) CYP2D6CYP3A4TSHRALDH1A1CYP2C9
SCHEMBL9701624 0.81 GAA (0.43) CYP2D6CYP3A4TSHRALDH1A1CYP2C9
SCHEMBL1776287 0.80 CRBN (0.40) CYP2D6CYP3A4TSHRALDH1A1CYP2C9
SCHEMBL31309789 0.77 IRAK4 (0.36) IRAK4KMT2A
SCHEMBL6414324 0.77 LMNA (0.38) CYP2D6CYP3A4TSHRALDH1A1CYP2C9
SCHEMBL3214114 0.76 LMNA (0.37) IRAK4MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117402085-A Novel method for synthesizing D-N-BOC-biphenylpropylamine 迪嘉药业集团股份有限公司 2024-01-16 CN claimed
US-20250074890-A1 CYANOPYRIDINE AND CYANOPYRIMIDINE BCL6 DEGRADERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-03-06 US disclosed
EP-4380919-A1 CYANOPYRIDINE AND CYANOPYRIMIDINE BCL6 DEGRADERS Dana-Farber Cancer Institute, Inc. (US) 2024-06-12 EP disclosed
US-20240158392-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES JANSSEN RESEARCH & DEVELOPMENT, LLC 2024-05-16 US disclosed
CN-117402085-A Novel method for synthesizing D-N-BOC-biphenylpropylamine 迪嘉药业集团股份有限公司 2024-01-16 CN disclosed
CN-117402085-A Novel method for synthesizing D-N-BOC-biphenylpropylamine 迪嘉药业集团股份有限公司 2024-01-16 CN disclosed
EP-4284801-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES Janssen Biotech, Inc. (US) 2023-12-06 EP disclosed
WO-2023015164-A1 CYANOPYRIDINE AND CYANOPYRIMIDINE BCL6 DEGRADERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-02-09 WO disclosed
WO-2022165529-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES JANSSEN BIOTECH, INC. (US) 2022-08-04 WO disclosed
EP-2776435-B1 ANTICANCER PYRIDOPYRAZINES VIA THE INHIBITION OF FGFR KINASES ASTEX THERAPEUTICS LTD (GB) 2018-06-27 EP disclosed
EP-2146980-A2 HISTAMINE H3 RECEPTOR LIGANDS COMPRISING A CYCLOBUTOXY GROUP UCB Pharma S.A. (BE) 2010-01-27 EP disclosed
WO-2009001132-A1 PYRAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF LUNG DISEASES ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
WO-2008128919-A2 HISTAMINE H3 RECEPTOR LIGANDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA S.A. (BE) 2008-10-30 WO disclosed
WO-2008128919-A2 HISTAMINE H3 RECEPTOR LIGANDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA S.A. (BE) 2008-10-30 WO disclosed
US-6441189-B1 WHICH REDUCES RACEMIZATION; (4R)-4-(HYDROXYMETHYL)-1,3-OXAZOLIDIN-2-ONE BY REDUCTION AND BASIFICATION OF THE CORRESPONDING 4-PROTECTED CARBOXY ESTER ABBOTT LABORATORIES 2002-08-27 US disclosed
US-20020052511-A1 Process for the preparation of matrix metalloproteinase inhibitors BAILEY ANNE E (US) 2002-05-02 US disclosed
US-20020019539-A1 Process for the preparation of matrix metalloproteinase inhibitors ABBOTT LABORATORIES 2002-02-14 US disclosed
US-20020007060-A1 Reverse hydroxamate inhibitors of matrix metalloproteinases DAVIDSEN STEVEN K (US) 2002-01-17 US disclosed
WO-2001074792-A2 PROCESS FOR THE PREPARATION OF MATRIX METALLOPROTEINASE INHIBITORS ABBOTT LABORATORIES (US) 2001-10-11 WO disclosed
US-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 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 (5 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-20240158392-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES SIK2, SIK1, SGK2 CYP2D6 4759/4885CYP3A4 4777/4885TSHR 4262/4885
US-20250074890-A1 CYANOPYRIDINE AND CYANOPYRIMIDINE BCL6 DEGRADERS BCL6, BCL6B, BCOR CYP2D6 969/4885CYP3A4 1903/4885TSHR 3353/4885
US-20020052511-A1 Process for the preparation of matrix metalloproteinase inhibitors MMP9, TIMP3, MMP2 CYP2D6 2351/4885CYP3A4 1764/4885TSHR 3277/4885
US-20020019539-A1 Process for the preparation of matrix metalloproteinase inhibitors MMP9, TIMP3, MMP2 CYP2D6 2351/4885CYP3A4 1764/4885TSHR 3277/4885
US-20020007060-A1 Reverse hydroxamate inhibitors of matrix metalloproteinases MMP1, MMP9, MMP3 CYP2D6 2053/4885CYP3A4 2935/4885TSHR 3628/4885

“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.