SCHEMBL7614830

SCHEMBL7614830

CCOC(=O)CC(=O)COc1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.48
PLA2G4B P0C869 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 1/20 0.46
MAOB P27338 1/20 0.46
S1PR4 O95977 1/20 0.45
LMNA P02545 1/20 0.45
S1PR1 P21453 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL419376 0.87 GAA (0.66) NPSR1GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL12290360 0.84 GAA (0.51) NPSR1GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL2412870 0.84 MAPT (0.61) NPSR1GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL4419517 0.84 MAPT (0.53) NPSR1GAAALDH1A1KDM4EPOLB
SCHEMBL6064895 0.84 TSHR (0.52) NPSR1GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL7903369 0.83 PLA2G4B (0.69) NPSR1GAAKDM4EPLA2G4BTP53
SCHEMBL13382671 0.83 POLB (0.54) ALDH1A1KDM4ESMN1; SMN2POLBTSHR
SCHEMBL6092006 0.82 MAPT (0.60) NPSR1GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL28532238 0.78 NPSR1 (0.51) NPSR1GAAKDM4EMAPTKMT2A
SCHEMBL12098274 0.78 RAB9A (0.59) NPSR1GAAALDH1A1POLBMAPT

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-20100189648-A1 INHIBITORS FOR DISRUPTING THE INTERACTION OF UBIQUITINATION RELATED ENZYMES AND USES THEREOF HUANG LAN 2010-07-29 US disclosed
US-20100189648-A1 INHIBITORS FOR DISRUPTING THE INTERACTION OF UBIQUITINATION RELATED ENZYMES AND USES THEREOF HUANG LAN 2010-07-29 US 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
WO-2001074792-A2 PROCESS FOR THE PREPARATION OF MATRIX METALLOPROTEINASE INHIBITORS ABBOTT LABORATORIES (US) 2001-10-11 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-20020052511-A1 Process for the preparation of matrix metalloproteinase inhibitors MMP9, TIMP3, MMP2 NPSR1 1646/4885GAA 314/4885ALDH1A1 1359/4885
US-20020019539-A1 Process for the preparation of matrix metalloproteinase inhibitors MMP9, TIMP3, MMP2 NPSR1 1646/4885GAA 314/4885ALDH1A1 1359/4885
US-20100189648-A1 INHIBITORS FOR DISRUPTING THE INTERACTION OF UBIQUITINATION RELATED ENZYMES AND USES THEREOF MDM2, UBE2N, UBE2E1 NPSR1 4628/4885GAA 354/4885ALDH1A1 1796/4885

“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.