SCHEMBL6416112

SCHEMBL6416112

CC(C)(C)OC(=O)C(=O)Nc1sc2c(c1C(=O)O)C1CCC(CCc3ccccc3)N(C2)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.39
PTPN2 P17706 6/20 0.39
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
CXCR2 P25025 3/20 0.34
CXCR4 P61073 1/20 0.34
ANO1 Q5XXA6 1/20 0.34
NT5E P21589 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSPO P30536 1/20 0.33
PTPRA P18433 1/20 0.33

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
SCHEMBL6413368 0.94 CXCR2 (0.41) PTPN1PTPN2MAPTALDH1A1HTT
SCHEMBL6418240 0.81 GRM6 (0.40) MAPTALDH1A1CXCR2CXCR4LMNA
SCHEMBL6849591 0.78 ADORA1 (0.43) MAPTALDH1A1LMNA
SCHEMBL6432093 0.76 PTPN2 (0.34) PTPN1PTPN2MAPTALDH1A1KDM4E
SCHEMBL6416126 0.74 PTPN1 (0.38) PTPN1PTPN2CXCR2CXCR4PTPRA
SCHEMBL6415638 0.70 PTPN1 (0.45) PTPN1PTPN2CXCR2PTPRA
SCHEMBL6414118 0.68 PTPN1 (0.48) PTPN1PTPN2CXCR2PTPRA
SCHEMBL7529881 0.64 NT5E (0.39) MAPTALDH1A1CXCR2CXCR4NT5E
SCHEMBL6415894 0.61 PTPN1 (0.48) PTPN1PTPN2PTPRA
SCHEMBL14359362 0.60 STS (0.43)

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 2 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
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 36/4885MAPT 2025/4885

“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.