SCHEMBL6415097

SCHEMBL6415097

CC(C)OC(=O)C(=O)n1ccnc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.35
CYP26A1 O43174 2/20 0.34
ADRA1A P35348 1/20 0.33
PDE4D Q08499 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
TBXAS1 P24557 4/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL2451086 0.81 CYP24A1 (0.38) AHRCYP26A1FAAHMGLLTBXAS1
SCHEMBL9673259 0.80 ADRA1A (0.59) AHRCYP26A1ADRA1APDE4DALDH1A1
SCHEMBL8149950 0.79 HTT (0.40) AHRTBXAS1ALDH1A1TDP1
SCHEMBL25507691 0.77 CYP3A4 (0.39) AHRFAAHMGLLTBXAS1CYP3A4
SCHEMBL10405960 0.77 CYP3A4 (0.39) AHRFAAHMGLLTBXAS1CYP3A4
SCHEMBL618874 0.76 ALDH1A1 (0.43) FAAHMGLLTBXAS1CYP3A4ALDH1A1
SCHEMBL12489828 0.76 QPCT (0.33) CYP26A1
SCHEMBL2218227 0.75 MAPT (0.46) AHRCYP26A1FAAHMGLLTBXAS1
SCHEMBL5063771 0.75 L3MBTL1 (0.36) AHRTBXAS1ALDH1A1TDP1
SCHEMBL28007639 0.73 SMYD3 (0.34) AHRFAAHMGLLTBXAS1CYP3A4

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
EP-1404682-B1 METHOD OF INHIBITING PTP 1B AND/OR T-CELL PTP AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK AS (DK) 2005-09-14 EP disclosed
EP-1404682-A1 METHOD OF INHIBITING PTP 1B AND/OR T-CELL PTP AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 Novo Nordisk A/S (DK) 2004-04-07 EP disclosed
US-20030064979-A1 Method of inhibiting PTP 1B and /or T-cell PTP and/or other PTPases with an Asp residue at position 48 NOVO NORDISK A/S (DK) 2003-04-03 US disclosed
WO-2003002569-A1 METHOD OF INHIBITING PTP 1B AND/OR T-CELL PTP AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2003-01-09 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-20030064979-A1 Method of inhibiting PTP 1B and /or T-cell PTP and/or other PTPases with an Asp residue at position 48 PTPRO, PTPRF, PTPA AHR 4272/4885CYP26A1 481/4885ADRA1A 4580/4885

“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.