SCHEMBL3849688

SCHEMBL3849688

C=C[C@]12CC[C@]3(C)C[C@H](OC(=O)c4cc(S(N)(=O)=O)ccc4Cl)CC3C1CCc1cc(O)ccc12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.35
CA2 P00918 16/20 0.34
ESR1 P03372 1/20 0.33
CA1 P00915 1/20 0.32
STS P08842 1/20 0.32
CA9 Q16790 1/20 0.32
RORC P51449 1/20 0.32
NR3C1 P04150 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31

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
SCHEMBL3845720 0.92 NR1H2 (0.33) ESR1STSRORCNR1H2NR1H3
SCHEMBL3851828 0.89 CA2 (0.40) SOD1CA2ESR1CA1STS
SCHEMBL5149829 0.87 CA2 (0.41) SOD1CA2ESR1CA1STS
SCHEMBL3845724 0.87 CA2 (0.41) SOD1CA2ESR1CA1STS
SCHEMBL2214509 0.87 CA2 (0.41) SOD1CA2ESR1CA1STS
SCHEMBL5172821 0.87 CA2 (0.41) SOD1CA2ESR1CA1STS
SCHEMBL3845551 0.87 CA2 (0.30) CA2
SCHEMBL3846671 0.86 CA2 (0.30) CA2
SCHEMBL2213456 0.84 CA2 (0.35) SOD1CA2ESR1CA1STS
SCHEMBL4589116 0.82 MAPK1 (0.41) SOD1ESR1STSNR3C1NR1H2

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-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 claimed
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

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 SOD1 2674/4885CA2 326/4885ESR1 7/4885

“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.