SCHEMBL6413368

SCHEMBL6413368

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 11/20 0.41
CXCR4 P61073 1/20 0.41
TSPO P30536 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 1/20 0.38
NT5E P21589 1/20 0.37
PTPN2 P17706 2/20 0.35
PTPN1 P18031 2/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL6416112 0.94 PTPN1 (0.39) CXCR2CXCR4TSPOALDH1A1MAPT
SCHEMBL6418240 0.86 GRM6 (0.40) CXCR2CXCR4ALDH1A1MAPTLMNA
SCHEMBL6849591 0.74 ADORA1 (0.43) ALDH1A1MAPTLMNA
SCHEMBL6432093 0.70 PTPN2 (0.34) ALDH1A1MAPTPTPN2PTPN1KDM4E
SCHEMBL7529881 0.68 NT5E (0.39) CXCR2CXCR4ALDH1A1MAPTNT5E
SCHEMBL6416126 0.68 PTPN1 (0.38) CXCR2CXCR4PTPN2PTPN1
SCHEMBL6415638 0.64 PTPN1 (0.45) CXCR2PTPN2PTPN1
SCHEMBL6315579 0.62 CXCR2 (0.44) CXCR2CXCR4TSPOALDH1A1MAPT
SCHEMBL6314950 0.62 CXCR2 (0.46) CXCR2CXCR4TSPOALDH1A1MAPT
SCHEMBL5838158 0.62 CXCR2 (0.54) CXCR2CXCR4TSPOALDH1A1MAPT

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 CXCR2 1476/4885CXCR4 2017/4885TSPO 1384/4885

“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.