SCHEMBL3844952

SCHEMBL3844952

C=C[C@]12CC[C@]3(C)C[C@H](OC(=O)c4cccc(S(N)(=O)=O)c4)CC3C1CCc1cc(O[Si](C)(C)C(C)(C)C)ccc12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.33
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
STS P08842 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
SCHEMBL5152125 0.88 SMN1; SMN2 (0.35) RORCCA2LMNATDP1STS
SCHEMBL3848339 0.88 SMN1; SMN2 (0.35) RORCCA2LMNATDP1STS
SCHEMBL3845724 0.88 CA2 (0.41) RORCCA2LMNATDP1STS
SCHEMBL5172821 0.88 CA2 (0.41) RORCCA2LMNATDP1STS
SCHEMBL2214509 0.88 CA2 (0.41) RORCCA2LMNATDP1STS
SCHEMBL5149829 0.88 CA2 (0.41) RORCCA2LMNATDP1STS
SCHEMBL3847345 0.86 RORC (0.33) RORCCA2LMNA
SCHEMBL3848340 0.82 STS (0.31) STS
SCHEMBL3845560 0.80 PTPN2 (0.36) RORCCA2LMNATDP1STS
SCHEMBL3851828 0.79 CA2 (0.40) RORCCA2STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RORC 288/4885CA2 326/4885LMNA 3785/4885

“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.