SCHEMBL4885972

SCHEMBL4885972

CC(C)(C)C(O)CCNC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
ALDH1A1 P00352 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
PTGS1 P23219 1/20 0.32
KCNH2 Q12809 1/20 0.32
ANPEP P15144 1/20 0.31
DNPEP Q9ULA0 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA4 P43681 1/20 0.31
ACACB O00763 1/20 0.31

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
SCHEMBL4352303 0.88 MEN1 (0.43) CYP2D6CYP2C19TSHRMEN1GAA
SCHEMBL6649699 0.78 PKM (0.39) CYP2D6CYP2C19MEN1KMT2AALDH1A1
SCHEMBL2460635 0.77 CYP2D6 (0.52) CYP2D6CYP2C19TSHR
SCHEMBL838330 0.77 CYP2D6 (0.37) CYP2D6CYP2C19MEN1GAAKMT2A
SCHEMBL2556795 0.77 CYP2D6 (0.37) CYP2D6CYP2C19MEN1GAAKMT2A
SCHEMBL22076985 0.77 CYP2D6 (0.37) CYP2D6CYP2C19MEN1GAAKMT2A
SCHEMBL29774458 0.76 MEN1 (0.57) CYP2D6MEN1GAAKMT2AALDH1A1
SCHEMBL13268513 0.75
SCHEMBL1923786 0.75
SCHEMBL13268506 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593461-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2016-08-17 EP disclosed
US-8637523-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
US-8247420-B2 Compositions, synthesis, and methods of using quinolinone based atypical antipsychotic agents REVIVA PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
US-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-07-19 US disclosed
US-20080293736-A1 Compositions, Synthesis, and Methods of Using Quinolinone Based Atypical Antipsychotic Agents REVIVA PHARMACEUTICALS, INC. (US) 2008-11-27 US disclosed
EP-1562928-A1 AROMATIC SULFONE HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2005-08-17 EP disclosed
US-20050101641-A1 Aromatic sulfone hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2005-05-12 US disclosed
US-6890928-B2 Aromatic sulfone hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION (US) 2005-05-10 US disclosed
US-20040110805-A1 Aromatic sulfone hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2004-06-10 US disclosed
WO-2004043943-A1 AROMATIC SULFONE HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2004-05-27 WO disclosed
US-20040024024-A1 Aromatic sulfone hydroxamates and their use as protease inhibitors PHARMACIA CORPORATION 2004-02-05 US disclosed
EP-1385836-A2 AROMATIC SULFONE HYDROXAMATES AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2004-02-04 EP disclosed
US-20040010019-A1 Aromatic sulfone hydroxamates and their use as protease inhibitors PHARMACIA CORPORATION 2004-01-15 US disclosed
WO-2002092588-A2 AROMATIC SULFONE HYDROXAMATES AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2002-11-21 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-20040110805-A1 Aromatic sulfone hydroxamic acids and their use as protease inhibitors MMP1, MMP7, MMP3 CYP2D6 2990/4885CYP2C19 2425/4885TSHR 3809/4885
US-20080293736-A1 Compositions, Synthesis, and Methods of Using Quinolinone Based Atypical Antipsychotic Agents GRIN2D, GRIN2C, AP3D1 CYP2D6 524/4885CYP2C19 1940/4885TSHR 2080/4885
US-20050101641-A1 Aromatic sulfone hydroxamic acids and their use as protease inhibitors MMP1, MMP3, MMP7 CYP2D6 2940/4885CYP2C19 2215/4885TSHR 3876/4885
US-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP CYP2D6 2378/4885CYP2C19 2839/4885TSHR 4346/4885
US-20040010019-A1 Aromatic sulfone hydroxamates and their use as protease inhibitors MMP1, MMP3, MMP7 CYP2D6 3058/4885CYP2C19 2392/4885TSHR 3623/4885
US-20040024024-A1 Aromatic sulfone hydroxamates and their use as protease inhibitors MMP1, MMP3, MMP7 CYP2D6 3058/4885CYP2C19 2392/4885TSHR 3623/4885

“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.