SCHEMBL5540487

SCHEMBL5540487

COc1c(F)ccc2c1C(C)(C)C[C@](O)(C(F)(F)F)[C@@H]2NS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.44
PGR P06401 2/20 0.44
AR P10275 2/20 0.44
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RORA P35398 1/20 0.34
RORC P51449 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
GHSR Q92847 1/20 0.34
SLC6A9 P48067 2/20 0.33
HCRTR1 O43613 1/20 0.33
SCN1A P35498 2/20 0.32
SCN2A Q99250 2/20 0.32
SCN3A Q9NY46 2/20 0.32

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
SCHEMBL5540492 1.00 NR3C1 (0.44) NR3C1PGRARF2PRSS1
SCHEMBL5540483 1.00 NR3C1 (0.44) NR3C1PGRARF2PRSS1
SCHEMBL14496171 1.00 NR3C1 (0.44) NR3C1PGRARF2PRSS1
SCHEMBL5537989 0.88 NR3C1 (0.56) NR3C1PGRARF2PRSS1
SCHEMBL5537993 0.88 NR3C1 (0.56) NR3C1PGRARF2PRSS1
SCHEMBL14496173 0.88 NR3C1 (0.56) NR3C1PGRARF2PRSS1
SCHEMBL5537996 0.88 NR3C1 (0.56) NR3C1PGRARF2PRSS1
SCHEMBL14496168 0.85 NR3C1 (0.40) NR3C1PGRARF2PRSS1
SCHEMBL5537960 0.85 NR3C1 (0.40) NR3C1PGRARF2PRSS1
SCHEMBL5537954 0.85 NR3C1 (0.40) NR3C1PGRARF2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129359-A1 Tetrahydronaphthalene derivatives, processes for their preparation and their use as antiinflammatory agents SCHERING AG (DE) 2007-06-07 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-20070129359-A1 Tetrahydronaphthalene derivatives, processes for their preparation and their use as antiinflammatory agents TNF, IL1B, PTGS1 NR3C1 190/4885PGR 2358/4885AR 2736/4885

“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.