SCHEMBL6418240

SCHEMBL6418240

CC(C)(C)OC(=O)c1c(N)sc2c1C1CCC(CCc3ccccc3)N(C2)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
ADORA1 P30542 6/20 0.37
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
CXCR2 P25025 1/20 0.34
CXCR4 P61073 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL6849591 0.86 ADORA1 (0.43) POLBGAAADORA1MEN1MAPT
SCHEMBL6413368 0.86 CXCR2 (0.41) MAPTLMNACXCR2CXCR4ALDH1A1
SCHEMBL6416112 0.81 PTPN1 (0.39) MAPTLMNACXCR2CXCR4ALDH1A1
SCHEMBL7735420 0.70 GAA (0.50) GRM6POLBGAAADORA1MEN1
SCHEMBL6432093 0.70 PTPN2 (0.34) POLBMAPTALDH1A1
SCHEMBL5837958 0.68 ADORA1 (0.48) GRM6POLBGAAADORA1MEN1
SCHEMBL7211157 0.66 POLB (0.45) GRM6POLBGAAADORA1MEN1
SCHEMBL7520724 0.65 ADORA1 (0.45) GRM6POLBGAAADORA1MEN1
SCHEMBL7520716 0.64 ADORA1 (0.45) GRM6POLBGAAADORA1MEN1
SCHEMBL14359362 0.64 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 GRM6 2294/4885POLB 1573/4885GAA 548/4885

“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.