SCHEMBL3845237

SCHEMBL3845237

C=C[C@]12CC[C@]3(C)[C@@H](F)[C@H](OC(=O)c4cccc(S(N)(=O)=O)c4)C[C@H]3[C@@H]1CCc1cc(O)ccc12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 16/20 0.41
STS P08842 3/20 0.35
ESR1 P03372 1/20 0.35
SOD1 P00441 1/20 0.35
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
RORC P51449 1/20 0.34

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
SCHEMBL2215719 1.00 CA2 (0.41) CA2STSESR1SOD1CA1
SCHEMBL2215975 0.92 CA2 (0.41) CA2STSESR1SOD1CA1
SCHEMBL3847372 0.91 SMN1; SMN2 (0.37) CA2STSESR1RORC
SCHEMBL3847345 0.88 RORC (0.33) CA2ESR1RORC
SCHEMBL2213456 0.88 CA2 (0.35) CA2STSESR1SOD1CA1
SCHEMBL5172821 0.84 CA2 (0.41) CA2STSESR1SOD1CA1
SCHEMBL2214509 0.84 CA2 (0.41) CA2STSESR1SOD1CA1
SCHEMBL5149829 0.84 CA2 (0.41) CA2STSESR1SOD1CA1
SCHEMBL3845724 0.84 CA2 (0.41) CA2STSESR1SOD1CA1
SCHEMBL3847363 0.83 SMN1; SMN2 (0.36) CA2STSESR1CA1CA9

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 2 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
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 CA2 326/4885STS 229/4885ESR1 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.