SCHEMBL6423629

SCHEMBL6423629

O=C1Nc2ccc(-c3ccccc3F)cc2C12CCCCC2

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGR P06401 17/20 0.60
PDE4A P27815 2/20 0.51
PDE4B Q07343 2/20 0.51
PDE4C Q08493 2/20 0.51
PDE4D Q08499 2/20 0.51
PDE3B Q13370 2/20 0.51
PDE3A Q14432 2/20 0.51
PARP1 P09874 1/20 0.51
PARP2 Q9UGN5 1/20 0.51

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
SCHEMBL7134063 0.88 PGR (0.58) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL6426704 0.82 PGR (0.71) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL4103914 0.82 PGR (0.50) PGRPARP1PARP2
SCHEMBL4103911 0.82 PGR (0.50) PGRPARP1PARP2
SCHEMBL6424665 0.81 PGR (0.67) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL3520506 0.80 PGR (0.72) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL3523715 0.80 PGR (0.77) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL3521176 0.79 PGR (0.73) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL3521615 0.77 PGR (0.70) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL3521572 0.77 PGR (0.52) PGRPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515680-A4 USE OF THIO-OXINDOLE DERIVATIVES IN TREATMENT OF SKIN DISORDERS WYETH CORP (US) 2005-09-21 EP claimed
EP-1531806-A4 USE OF THIO-OXINDOLE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS WYETH CORP (US) 2005-09-21 EP claimed
EP-1531806-A2 USE OF THIO-OXINDOLE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS Wyeth (US) 2005-05-25 EP claimed
EP-1515680-A2 USE OF THIO-OXINDOLE DERIVATIVES IN TREATMENT OF SKIN DISORDERS Wyeth (US) 2005-03-23 EP claimed
US-20040002535-A1 Methods of treating hormone-related conditions using thio-oxindole derivatives WYETH (US) 2004-01-01 US claimed
WO-2004000225-A2 USE OF THIO-OXINDOLE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS WYETH (US) 2003-12-31 WO claimed
WO-2004000227-A2 USE OF THIO-OXINDOLE DERIVATIVES IN TREATMENT OF SKIN DISORDERS WYETH (US) 2003-12-31 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-20040002535-A1 Methods of treating hormone-related conditions using thio-oxindole derivatives GPER1, OXTR, SHBG PGR 44/4885PDE4A 4239/4885PDE4B 4586/4885

“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.