SCHEMBL6413287

SCHEMBL6413287

Nc1sc2c(c1C(=O)O)C1CCCN(C2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
MAPT P10636 8/20 0.41
KDM4E B2RXH2 7/20 0.41
ADORA1 P30542 5/20 0.41
RAD52 P43351 1/20 0.41
HPGD P15428 6/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
GLA P06280 1/20 0.33
HSD17B10 Q99714 3/20 0.31
USP2 O75604 1/20 0.31
RECQL P46063 1/20 0.31
GAA P10253 3/20 0.31
ALOX15 P16050 2/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL6419481 0.80 PTPN1 (0.47)
SCHEMBL6849327 0.71 HPGD (0.34) ALDH1A1HPGDRECQLLMNA
SCHEMBL6436181 0.71 PTPN1 (0.39) MEN1KMT2A
SCHEMBL7029267 0.68 KMT2A (0.33) MEN1KMT2A
SCHEMBL6849591 0.67 ADORA1 (0.43) ALDH1A1MAPTADORA1MEN1KMT2A
SCHEMBL29116214 0.67 ADORA1 (0.43) ALDH1A1MAPTKDM4EADORA1RAD52
SCHEMBL6415875 0.64 PTPN1 (0.50)
SCHEMBL5420863 0.64 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EADORA1RAD52
SCHEMBL2489857 0.61 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EADORA1RAD52
SCHEMBL6120984 0.61 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EADORA1RAD52

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 ALDH1A1 671/4885MAPT 2025/4885KDM4E 3055/4885

“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.