SCHEMBL3333847

SCHEMBL3333847

O=C(CCc1ccccc1)N=C(NCCC[C@H]1C(=O)N[C@@H]1C(=O)O)NC(=O)CCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TAAR1 Q96RJ0 2/20 0.37
HDAC3 O15379 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
PPARG P37231 1/20 0.36
MAPK10 P53779 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL3336645 1.00 HPGD (0.40) HPGDKDM4ELMNAL3MBTL1KEAP1
SCHEMBL3336651 1.00 HPGD (0.40) HPGDKDM4ELMNAL3MBTL1KEAP1
SCHEMBL3337054 0.77 TPSAB1 (0.53) HPGDKDM4ELMNAKEAP1NFE2L2
SCHEMBL7384402 0.75 IDO1 (0.43) LMNAL3MBTL1KEAP1NFE2L2GAA
SCHEMBL3336658 0.75 ALOX5 (0.36) L3MBTL1MEN1KMT2A
SCHEMBL3333842 0.75 ALOX5 (0.36) L3MBTL1MEN1KMT2A
SCHEMBL7412436 0.75 IDO1 (0.43) LMNAL3MBTL1KEAP1NFE2L2GAA
SCHEMBL7412431 0.75 IDO1 (0.43) LMNAL3MBTL1KEAP1NFE2L2GAA
SCHEMBL5670635 0.69 MAPT (0.62) KDM4ELMNAGAAALDH1A1HDAC3
SCHEMBL13302789 0.69 IDO1 (0.42) LMNAL3MBTL1KEAP1NFE2L2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144698-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2010-06-10 US disclosed
US-20090143351-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2009-06-04 US disclosed
US-7501404-B2 Substituted azetidinones DAIMED (US) 2009-03-10 US disclosed
EP-1871741-A2 SUBSTITUTED AZETIDINONES Daiamed, Inc. (US) 2008-01-02 EP disclosed
US-20070105832-A1 Substituted azetidinones Cadrenal Therapeutics, Inc. 2007-05-10 US disclosed
WO-2006108039-A2 SUBSTITUTED AZETIDINONES DAIAMED, INC. (US) 2006-10-12 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 (3 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-20070105832-A1 Substituted azetidinones F2R, CPA3, CFD HPGD 1264/4885KDM4E 1463/4885LMNA 1127/4885
US-20100144698-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD HPGD 1264/4885KDM4E 1463/4885LMNA 1127/4885
US-20090143351-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD HPGD 1264/4885KDM4E 1463/4885LMNA 1127/4885

“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.