SCHEMBL3845720

SCHEMBL3845720

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
AKR1C3 P42330 1/20 0.32
LMNA P02545 1/20 0.32
ESR1 P03372 1/20 0.32
PGR P06401 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
AR P10275 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRM1 P35372 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ATM Q13315 1/20 0.32
STS P08842 1/20 0.31
RORC P51449 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
SCHEMBL3849688 0.92 SOD1 (0.35) NR1H2NR1H3ESR1STSRORC
SCHEMBL3845560 0.89 PTPN2 (0.36) NR1H2NR1H3SMN1; SMN2TP53CYP3A4
SCHEMBL3849691 0.88
SCHEMBL3848339 0.87 SMN1; SMN2 (0.35) NR1H2NR1H3SMN1; SMN2TP53CYP3A4
SCHEMBL5152125 0.87 SMN1; SMN2 (0.35) NR1H2NR1H3SMN1; SMN2TP53CYP3A4
SCHEMBL3845312 0.87
SCHEMBL3845835 0.85 SMN1; SMN2 (0.34) NR1H2NR1H3SMN1; SMN2TP53CYP3A4
SCHEMBL4590088 0.84 SMN1; SMN2 (0.42) NR1H2NR1H3SMN1; SMN2TP53CYP3A4
SCHEMBL3851828 0.81 CA2 (0.40) ESR1STSRORC
SCHEMBL5172821 0.79 CA2 (0.41) LMNAESR1STSRORC

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 6 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
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 NR1H2 46/4885NR1H3 50/4885SMN1; SMN2 4858/4885

“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.