SCHEMBL6437604

SCHEMBL6437604

O=C(O)c1c(NC2CCCCO2)sc2c1C1CCCN(C2)C1CCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.38
PTPN2 P17706 7/20 0.38
POLB P06746 2/20 0.34
GRM5 P41594 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PTPRA P18433 1/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
RORC P51449 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL6432093 0.82 PTPN2 (0.34) PTPN1PTPN2POLBGRM5KDM4E
SCHEMBL6439230 0.79 POLB (0.33) PTPN1PTPN2POLBKDM4EALDH1A1
SCHEMBL7859688 0.76 PTPN1 (0.65) PTPN1PTPN2POLBKDM4EALDH1A1
SCHEMBL7252517 0.72 ACE (0.33) POLBALDH1A1
SCHEMBL7029267 0.71 KMT2A (0.33) PTPN1POLBGRM5
SCHEMBL7170012 0.70 KMT2A (0.49) PTPN1PTPN2POLBALDH1A1HRH3
SCHEMBL7033556 0.70 ABCC1 (0.32) PTPN1POLB
SCHEMBL6432360 0.69 KMT2A (0.32) PTPN1POLB
SCHEMBL7853662 0.69 PTPN1 (0.67) PTPN1PTPN2KDM4E
SCHEMBL7696216 0.69 GRM1 (0.48) PTPN1PTPN2POLBGRM5ALDH1A1

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
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 claimed
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 claimed
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 claimed
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 claimed
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
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

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 PTPN1 17/4885PTPN2 36/4885POLB 1573/4885

“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.