SCHEMBL1897707

SCHEMBL1897707

COc1ccc(-c2ccsc2)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2cnccc21)C(F)(F)F.COc1ccc(-c2ccsc2)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2cnccc21)C(F)(F)F

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.74
NR3C2 P08235 14/20 0.74
PGR P06401 11/20 0.57

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
SCHEMBL290986 1.00 NR3C1 (0.74) NR3C1NR3C2PGR
SCHEMBL299481 0.90 NR3C1 (0.61) NR3C1NR3C2PGR
SCHEMBL291819 0.89 NR3C1 (0.79) NR3C1NR3C2PGR
SCHEMBL290957 0.89 NR3C1 (0.73) NR3C1NR3C2PGR
SCHEMBL292519 0.89 NR3C1 (0.79) NR3C1NR3C2PGR
SCHEMBL292472 0.88 NR3C1 (0.78) NR3C1NR3C2PGR
SCHEMBL9987941 0.88 NR3C1 (0.74) NR3C1NR3C2PGR
SCHEMBL290955 0.85 NR3C1 (1.00) NR3C1NR3C2PGR
SCHEMBL4942962 0.85 NR3C1 (0.58) NR3C1NR3C2PGR
SCHEMBL291977 0.84 NR3C1 (0.54) NR3C1NR3C2PGR

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-20110105559-A1 Compositions and Methods for Treating, Controlling, Reducing, Ameliorating, or Preventing Allergy WP PRISM INC. (N/K/A BAUSCH & LOMB HOLDINGS INC.) 2011-05-05 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-20110105559-A1 Compositions and Methods for Treating, Controlling, Reducing, Ameliorating, or Preventing Allergy CYSLTR1, LTB4R, CYSLTR2 NR3C1 18/4885NR3C2 87/4885PGR 123/4885

“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.