SCHEMBL1949604

SCHEMBL1949604

CN(Cc1cccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)c1)S(=O)(=O)c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.60
PTGER2 P43116 4/20 0.53
NAMPT P43490 1/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL2773136 0.94 PTGDR2 (0.56) PTGDR2PTGER2NAMPTCA12CA1
SCHEMBL1946872 0.91 PTGDR2 (0.67) PTGDR2CA12CA1CA2CA4
SCHEMBL2772208 0.84 PTGDR2 (0.62) PTGDR2CA12CA1CA2CA4
SCHEMBL3671698 0.84 NAMPT (0.53) PTGER2NAMPT
SCHEMBL3671696 0.83 NAMPT (0.51) PTGER2NAMPT
SCHEMBL1950917 0.83 PTGDR2 (0.54) PTGDR2
SCHEMBL12542896 0.82 PTGDR2 (0.52) PTGDR2PTGER2
SCHEMBL2769871 0.81 PTGDR2 (0.58) PTGDR2CA12CA1CA2CA4
SCHEMBL2770545 0.81 PTGDR2 (0.58) PTGDR2CA12CA1CA2CA4
SCHEMBL2771985 0.81 PTGDR2 (0.62) PTGDR2CA12CA1CA2CA4

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 5 patents. 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 claimed
US-20110136877-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS LIGAND PHARMACEUTICALS INC. (US) 2011-06-09 US disclosed
US-20110136877-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS LIGAND PHARMACEUTICALS INC. (US) 2011-06-09 US disclosed
US-20110136877-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS LIGAND PHARMACEUTICALS INC. (US) 2011-06-09 US disclosed
WO-2009089192-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS LIGAND PHARMACEUTICALS INC. (US) 2009-07-16 WO 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 15/4885PTGER2 60/4885NAMPT 3336/4885

“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.