SCHEMBL1948039

SCHEMBL1948039

CN(Cc1cccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)c1)C(=O)Oc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.57
LIPE Q05469 1/20 0.45
ABHD6 Q9BV23 1/20 0.44
CTSA P10619 1/20 0.42
PPARD Q03181 2/20 0.42
MGLL Q99685 1/20 0.41

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
SCHEMBL1950749 0.89 PTGDR2 (0.62) PTGDR2LIPEABHD6PPARD
SCHEMBL3671898 0.87 LIPE (0.46) PTGDR2LIPEABHD6CTSAMGLL
SCHEMBL3671902 0.87 LIPE (0.46) PTGDR2LIPEABHD6MGLL
SCHEMBL12542896 0.85 PTGDR2 (0.52) PTGDR2LIPEABHD6PPARDMGLL
SCHEMBL1949600 0.84 PTGDR2 (0.56) PTGDR2CTSAPPARD
SCHEMBL1947876 0.83 PTGDR2 (0.64) PTGDR2PPARD
SCHEMBL1948807 0.81 PTGDR2 (0.59) PTGDR2PPARD
SCHEMBL1948090 0.81 PTGDR2 (0.61) PTGDR2PPARD
SCHEMBL1950917 0.80 PTGDR2 (0.54) PTGDR2CTSAPPARD
SCHEMBL1948555 0.79 PTGDR2 (0.64) PTGDR2PPARD

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-20110136877-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS LIGAND PHARMACEUTICALS INC. (US) 2011-06-09 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-20110136877-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS HCAR2, PAH, PTGES2 PTGDR2 15/4885LIPE 1540/4885ABHD6 1663/4885

“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.