SCHEMBL3847345

SCHEMBL3847345

C=C[C@]12CC[C@@]3(C)C(C[C@@H](OC(=O)c4cccc(S(N)(=O)=O)c4)[C@@H]3F)C1CCc1cc(O[Si](C)(C)C(C)(C)C)ccc12

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.33
CA2 P00918 3/20 0.32
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.31
NR3C1 P04150 1/20 0.31
SHBG P04278 1/20 0.31
FYN P06241 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADRA2C P18825 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR2B P41595 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL3847372 0.89 SMN1; SMN2 (0.37) RORCCA2LMNAESR1NR3C1
SCHEMBL3845237 0.88 CA2 (0.41) RORCCA2ESR1
SCHEMBL2215719 0.88 CA2 (0.41) RORCCA2ESR1
SCHEMBL3844952 0.86 RORC (0.33) RORCCA2LMNA
SCHEMBL3847363 0.81 SMN1; SMN2 (0.36) RORCCA2LMNAESR1NR3C1
SCHEMBL3847251 0.81
SCHEMBL2215975 0.81 CA2 (0.41) CA2ESR1
SCHEMBL3844568 0.80 LMNA (0.31) LMNAESR1
SCHEMBL3845835 0.77 SMN1; SMN2 (0.34) LMNAESR1ADORA3ATMSMN1; SMN2
SCHEMBL2213456 0.77 CA2 (0.35) CA2ESR1

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 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.