SCHEMBL1049445

SCHEMBL1049445

COC(=O)C1Cc2ccccc2CN1C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.63
PTPN1 P18031 1/20 0.55
F10 P00742 7/20 0.55
HDAC8 Q9BY41 1/20 0.49
NR1D1 P20393 1/20 0.49
PREP P48147 2/20 0.48
MITF O75030 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 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
SCHEMBL9252347 0.88 NPSR1 (0.58) NPSR1PTPN1F10HDAC8NR1D1
SCHEMBL1052393 0.87 NPSR1 (0.62) NPSR1PTPN1F10
SCHEMBL30314166 0.87 NPSR1 (0.62) NPSR1PTPN1F10
SCHEMBL3629346 0.87 NPSR1 (0.62) NPSR1PTPN1F10
SCHEMBL29401156 0.87 NPSR1 (0.62) NPSR1PTPN1F10
SCHEMBL14862925 0.87 NPSR1 (0.62) NPSR1PTPN1F10
SCHEMBL204265 0.86 MMP2 (0.51) NPSR1PTPN1F10PREPMITF
SCHEMBL8225741 0.86 MMP2 (0.51) NPSR1PTPN1F10PREPMITF
SCHEMBL204264 0.86 MMP2 (0.51) NPSR1PTPN1F10PREPMITF
SCHEMBL6649282 0.86 NPSR1 (0.56) NPSR1PTPN1F10HDAC8NR1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303567-A1 SMALL MOLECULE INHIBITORS OF PARP ACTIVITY ANGION BIOMEDICA CORP 2013-11-14 US disclosed
US-8513433-B2 Small molecule inhibitors of PARP activity ANGION BIOMEDICA CORP. (US) 2013-08-20 US disclosed
US-20120184533-A1 SMALL MOLECULE INHIBITORS OF PARP ACTIVITY ANGION BIOMEDICA CORP. (US) 2012-07-19 US disclosed
WO-2011002520-A2 SMALL MOLECULE INHIBITORS OF PARP ACTIVITY ANGION BIOMEDICA CORP. (US) 2011-01-06 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 (2 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-20130303567-A1 SMALL MOLECULE INHIBITORS OF PARP ACTIVITY PARP1, PARP11, PARP15 NPSR1 3404/4885PTPN1 4744/4885F10 1660/4885
US-20120184533-A1 SMALL MOLECULE INHIBITORS OF PARP ACTIVITY PARP1, PARP11, PARP15 NPSR1 3404/4885PTPN1 4744/4885F10 1660/4885

“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.