SCHEMBL45916

SCHEMBL45916

Cc1ccc(S)cc1C(=O)Oc1cccc(-c2c(C(C)C)cnc3c(C(F)(F)F)cccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.51
NR1H3 Q13133 18/20 0.51

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
SCHEMBL45918 0.88 NR1H2 (0.50) NR1H2NR1H3
SCHEMBL35112 0.87 NR1H2 (0.65) NR1H2NR1H3
SCHEMBL35158 0.85 NR1H2 (0.55) NR1H2NR1H3
SCHEMBL35305 0.81 NR1H3 (0.60) NR1H2NR1H3
SCHEMBL35291 0.78 NR1H2 (0.64) NR1H2NR1H3
SCHEMBL35409 0.78 NR1H2 (0.66) NR1H2NR1H3
SCHEMBL35234 0.78 NR1H2 (0.71) NR1H2NR1H3
SCHEMBL38954 0.78 NR1H2 (0.70) NR1H2NR1H3
SCHEMBL4012188 0.77 NR1H2 (0.63) NR1H2NR1H3
SCHEMBL35160 0.76 NR1H2 (0.59) NR1H2NR1H3

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-20120010205-A1 NOVEL QUINOLINE ESTERS USEFUL FOR TREATING SKIN DISORDERS WYETH LLC (US) 2012-01-12 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-20120010205-A1 NOVEL QUINOLINE ESTERS USEFUL FOR TREATING SKIN DISORDERS NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885

“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.