SCHEMBL533842

SCHEMBL533842

CC(C)(C)OC(=O)N(CC(=O)O)c1cccc(CN(Cc2ccc(-c3nccs3)cc2)S(=O)(=O)c2ccc(F)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 16/20 0.49
KCNA5 P22460 1/20 0.44
CXCR3 P49682 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39

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
SCHEMBL533777 0.89 PTGER2 (0.57) PTGER2
SCHEMBL534190 0.87 PTGER2 (0.52) PTGER2
SCHEMBL11023383 0.87 PTGER2 (0.47) PTGER2KCNA5CXCR3
SCHEMBL12982206 0.86 PTGER2 (0.66) PTGER2
SCHEMBL534369 0.85 PTGER2 (0.49) PTGER2KCNA5TAS2R14
SCHEMBL3458779 0.84 PTGER2 (0.64) PTGER2
SCHEMBL533607 0.83 PTGER2 (0.52) PTGER2KCNA5TAS2R14
SCHEMBL533841 0.82 GPR119 (0.34) PTGER2
SCHEMBL12981940 0.81 PTGER2 (0.51) PTGER2KCNA5TAS2R14
SCHEMBL12982045 0.81 PTGER2 (0.54) PTGER2KCNA5

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
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US disclosed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 EP 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 (2 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-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 PTGER2 1/4885KCNA5 1025/4885CXCR3 691/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 PTGER2 1/4885KCNA5 1018/4885CXCR3 638/4885

“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.