SCHEMBL3324115

SCHEMBL3324115

O=C(O)OC/C=C/c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.57
PAM P19021 1/20 0.57
MMP1 P03956 1/20 0.56
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
MMP12 P39900 1/20 0.56
CACNA1B Q00975 2/20 0.50
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
RECQL P46063 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 2/20 0.47
MAOB P27338 1/20 0.47
HDAC3 O15379 1/20 0.47
TNKS O95271 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47

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
SCHEMBL293068 1.00 IDO1 (0.57) IDO1PAMMMP1MMP2MMP9
SCHEMBL9762368 0.88 IDO1 (0.57) IDO1PAMMMP1MMP2MMP9
SCHEMBL293067 0.88 IDO1 (0.57) IDO1PAMMMP1MMP2MMP9
SCHEMBL9595673 0.86 MMP1 (0.55) IDO1PAMMMP1MMP2MMP9
SCHEMBL9595675 0.86 MMP1 (0.55) IDO1PAMMMP1MMP2MMP9
SCHEMBL113959 0.85 IDO1 (0.58) IDO1PAMMMP1MMP2MMP9
SCHEMBL9762373 0.85 MMP1 (0.54) IDO1PAMMMP1MMP2MMP9
SCHEMBL29600 0.85 MMP1 (0.54) IDO1PAMMMP1MMP2MMP9
SCHEMBL3295683 0.85 MMP1 (0.54) IDO1PAMMMP1MMP2MMP9
SCHEMBL12123424 0.85 MMP1 (0.54) IDO1PAMMMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732365-B2 Enantioselective amination and etherification YALE UNIVERSITY (US) 2010-06-08 US disclosed
US-7342007-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2008-03-11 US disclosed
US-20060199728-A1 Enantioselective amination and etherification YALE UNIVERSITY (US) 2006-09-07 US disclosed
US-20060183732-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-08-17 US disclosed
EP-1636196-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004080983-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 WO disclosed
WO-2004024684-A2 ENANTIOSELECTIVE AMINATION AND ETHERIFICATION YALE UNIVERSITY (US) 2004-03-25 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-20060183732-A1 Novel lactams and uses thereof BACE1, BACE2, APP IDO1 3146/4885PAM 2007/4885MMP1 970/4885

“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.