SCHEMBL7120652

SCHEMBL7120652

CCOC(=O)[C@H](CCC(=O)OC(C)(C)C)NS(=O)(=O)c1c(C)noc1C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.41
ITGB3 P05106 5/20 0.40
ITGA2B P08514 5/20 0.40
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
ITGAV P06756 1/20 0.35
KMT2A Q03164 2/20 0.35
NR3C1 P04150 1/20 0.35
NR3C2 P08235 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7015589 0.85 ITGB3 (0.45) POLBITGB3ITGA2BALDH1A1MAPT
SCHEMBL7008707 0.79 POLB (0.45) POLBITGB3ITGA2BALDH1A1MAPT
SCHEMBL7368483 0.72 ALDH1A1 (0.39) POLBALDH1A1MAPTLMNATSHR
SCHEMBL14720021 0.68 CA14 (0.39) POLBMAPTL3MBTL1NPSR1CYP1A2
SCHEMBL7012078 0.68 ITGB3 (0.47) ITGB3ITGA2BALDH1A1TSHRNPSR1
SCHEMBL7008714 0.68 ITGB3 (0.49) POLBITGB3ITGA2BALDH1A1MAPT
SCHEMBL5409583 0.68 L3MBTL1 (0.51) POLBALDH1A1MAPTTSHRL3MBTL1
SCHEMBL2611917 0.68 PLG (0.43) TSHRCYP1A2KMT2AMEN1
SCHEMBL7661122 0.67 NR3C2 (0.40) POLBITGB3ITGA2BALDH1A1TSHR
SCHEMBL9088936 0.66 MMP9 (0.44) ALDH1A1MAPTTSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030055244-A1 Pyridyl-containing spirocyclic compounds as inhibitors of fibrinogen-dependent platelet aggregation MILLENNIUM PHARMACEUTICALS, INC. 2003-03-20 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-20030055244-A1 Pyridyl-containing spirocyclic compounds as inhibitors of fibrinogen-dependent platelet aggregation PF4, PFKP, FGB POLB 3718/4885ITGB3 139/4885ITGA2B 90/4885

“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.