SCHEMBL3999028

SCHEMBL3999028

COC(=O)CCC[C@H](OC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CRHBP P24387 1/20 0.40
CYP2C19 P33261 1/20 0.40
CRHR2 Q13324 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.38
CNR2 P34972 1/20 0.38
PTPRC P08575 1/20 0.37
FOLH1 Q04609 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL3999024 1.00 KMT2A (0.42) KMT2AHTTMEN1LMNACYP1A2
SCHEMBL13764875 0.81 MMP1 (0.47) HTTCYP2D6ALDH1A1MAPT
SCHEMBL13764895 0.78 GAA (0.46) CYP2D6CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL4006717 0.78 GAA (0.46) CYP2D6CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL3999031 0.75 ALDH1A1 (0.48) KMT2AHTTMEN1ALDH1A1MAPT
SCHEMBL2044616 0.75 ALDH1A1 (0.48) KMT2AHTTMEN1ALDH1A1MAPT
SCHEMBL4001359 0.75 MMP1 (0.39) HTTCYP2D6ALDH1A1MAPT
SCHEMBL4001361 0.75 MMP1 (0.39) HTTCYP2D6ALDH1A1MAPT
SCHEMBL29117963 0.74 HTT (0.45) KMT2AHTTMEN1LMNACYP1A2
SCHEMBL7149177 0.74 MAPT (0.47) KMT2AHTTMEN1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563888-B2 Process for the preparation of diphenyl azetidinone derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-07-21 US disclosed
US-7563888-B2 Process for the preparation of diphenyl azetidinone derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-07-21 US disclosed
US-7563888-B2 Process for the preparation of diphenyl azetidinone derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-07-21 US disclosed
US-20070149501-A1 PROCESS FOR THE PREPARATION OF DIPHENYL AZETIDINONE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-28 US disclosed
US-20070149501-A1 PROCESS FOR THE PREPARATION OF DIPHENYL AZETIDINONE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-28 US disclosed
US-20070149501-A1 PROCESS FOR THE PREPARATION OF DIPHENYL AZETIDINONE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-28 US disclosed
EP-1753717-A1 METHOD FOR PRODUCING DIPHENYL AZETIDINONE DERIVATIVES Sanofi-Aventis Deutschland GmbH (DE) 2007-02-21 EP disclosed
WO-2005113495-A1 METHOD FOR PRODUCING DIPHENYL AZETIDINONE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-12-01 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-20070149501-A1 PROCESS FOR THE PREPARATION OF DIPHENYL AZETIDINONE DERIVATIVES CYP46A1, APOB, DHCR7 KMT2A 1869/4885HTT 3445/4885MEN1 1200/4885

“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.