SCHEMBL3845258

SCHEMBL3845258

C=C[C@]12CC[C@]3(C)C[C@H](OC(=O)c4cccc(S(N)(=O)=O)c4)CC3C1[C@H](C)Cc1cc(OC(C)=O)ccc12

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3846780 0.92
SCHEMBL3845838 0.92 PTPN2 (0.35)
SCHEMBL3851555 0.91 CA2 (0.36)
SCHEMBL3849691 0.88
SCHEMBL3848339 0.87 SMN1; SMN2 (0.35) TP53CYP3A4MAPTSMN1; SMN2
SCHEMBL5152125 0.87 SMN1; SMN2 (0.35) TP53CYP3A4MAPTSMN1; SMN2
SCHEMBL3846199 0.84 PTPN2 (0.34)
SCHEMBL3849534 0.83 CA2 (0.36)
SCHEMBL3850935 0.83 PTPN2 (0.36)
SCHEMBL3845312 0.80

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-1957515-A2 PRODRUG ERbeta-SELECTIVE SUBSTANCES, METHODS FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-20 EP claimed
WO-2007062877-A2 PRODRUG ERβ-SELECTIVE SUBSTANCES, METHODS FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-06-07 WO claimed
US-20070123500-A1 Prodrugs of ERbeta-selective substances, processes for their preparation and pharmaceutical compositions comprising these compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-05-31 US claimed
EP-2039702-A2 Prodrugs erbeta-selective substances, method for their production and pharmaceutical compounds containing these compositions Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-25 EP disclosed
EP-1957515-A2 PRODRUG ERbeta-SELECTIVE SUBSTANCES, METHODS FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-20 EP disclosed
WO-2007062877-A2 PRODRUG ERβ-SELECTIVE SUBSTANCES, METHODS FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-06-07 WO disclosed
US-20070123500-A1 Prodrugs of ERbeta-selective substances, processes for their preparation and pharmaceutical compositions comprising these compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-05-31 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-20070123500-A1 Prodrugs of ERbeta-selective substances, processes for their preparation and pharmaceutical compositions comprising these compounds CYP19A1, ESR2, HSD17B11 TP53 2506/4885CYP3A4 54/4885MAPT 4571/4885

“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.