SCHEMBL7126763

SCHEMBL7126763

[O-][S+]1CCc2ccsc2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.36
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
PLK4 O00444 1/20 0.30
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
PAK4 O96013 1/20 0.30
PIM1 P11309 1/20 0.30
PDGFRA P16234 1/20 0.30
PRKACA P17612 1/20 0.30
LTK P29376 1/20 0.30
GRK5 P34947 1/20 0.30
KDR P35968 1/20 0.30
MAP2K2 P36507 1/20 0.30

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
SCHEMBL828997 0.62
SCHEMBL75265 0.62
SCHEMBL10512592 0.61 PNMT (0.31) PNMT
SCHEMBL15278765 0.61 PNMT (0.48) PNMTDRD2DRD3DRD1DRD4
SCHEMBL15276726 0.61 PNMT (0.48) PNMTDRD2DRD3DRD1DRD4
SCHEMBL7197761 0.58
SCHEMBL997292 0.58 PNMT (0.75) PNMTDRD2DRD3DRD1DRD4
SCHEMBL5460023 0.57 CYP2A6 (0.46) PNMTDRD2DRD3DRD1DRD4
SCHEMBL11088 0.57
Hydrochloric Acid SCHEMBL11181806 0.57 PNMT (0.72) PNMTDRD2DRD3DRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) MOLLER NIELS PETER HUNDAHL (DK) 2003-04-10 US claimed
US-6410586-B1 ANTICOAGULANTS; INSULIN RESISTANCE; ANTIALLERGENS NOVO NORDISK A/S (DK) 2002-06-25 US claimed
CN-1300291-A Modulators of protein tyrosine phosphatases (PTP enzymes) NOVO NORDISK AS (DK) 2001-06-20 CN claimed
EP-1080095-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2001-03-07 EP claimed
WO-1999046267-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO claimed

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-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPRA PNMT 4694/4885DRD2 4275/4885DRD3 4391/4885

“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.