SCHEMBL6414267

SCHEMBL6414267

CCOC(=O)C1(Cc2ccccc2CBr)CN(C(=O)OC(C)(C)C)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
PDK4 Q16654 1/20 0.35
USP30 Q70CQ3 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM1A O60341 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RORC P51449 2/20 0.35
POLB P06746 1/20 0.35
ADORA1 P30542 1/20 0.35
SCD5 Q86SK9 1/20 0.35
SLC2A1 P11166 1/20 0.35
KMT2A Q03164 2/20 0.35
P2RX3 P56373 1/20 0.34

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
SCHEMBL4479936 0.86 LMNA (0.42) GPR119USP30ALDH1A1LMNARAB9A
SCHEMBL4763188 0.82 ALDH1A1 (0.43) GPR119USP30ALDH1A1LMNAPOLB
SCHEMBL2350223 0.81 ADORA1 (0.42) CYP11B2PDK4USP30ALDH1A1ADORA1
SCHEMBL5246764 0.80 CNR1 (0.39) KDM1ARORCKMT2A
SCHEMBL5246761 0.80 CNR1 (0.39) KDM1ARORCKMT2A
SCHEMBL5246757 0.80 CNR1 (0.39) KDM1ARORCKMT2A
SCHEMBL16490799 0.79 MEN1 (0.47) GPR119ALDH1A1LMNAL3MBTL1POLB
SCHEMBL5230371 0.78 GPR119 (0.38) CYP11B2GPR119USP30ALDH1A1L3MBTL1
SCHEMBL5245529 0.76 MEN1 (0.39) GPR119ALDH1A1ADORA1SCD5KMT2A
SCHEMBL5245532 0.76 MEN1 (0.39) GPR119ALDH1A1ADORA1SCD5KMT2A

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 CYP11B2 3510/4885GPR119 4005/4885PDK4 823/4885

“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.