SCHEMBL533599

SCHEMBL533599

CC(C)(C)OC(=O)N(c1cccc(C(N)(Cc2ccc(-c3ccccn3)cc2)S(=O)(=O)c2cccnc2)n1)C(C(=O)O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 10/20 0.42
CA12 O43570 6/20 0.35
CA1 P00915 6/20 0.35
CA2 P00918 6/20 0.35
CA5A P35218 6/20 0.35
CA9 Q16790 6/20 0.35
CA5B Q9Y2D0 6/20 0.35
ADAMTS4 O75173 1/20 0.32
MLNR O43193 1/20 0.32
NR1I2 O75469 1/20 0.32
SLCO2B1 O94956 1/20 0.32
ABCB11 O95342 1/20 0.32
ABCB1 P08183 1/20 0.32
UGT1A1 P22309 1/20 0.32
CCKAR P32238 1/20 0.32
OPRK1 P41145 1/20 0.32
GHSR Q92847 1/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32

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
SCHEMBL534324 0.93 PTGER2 (0.38) PTGER2ADAMTS4
SCHEMBL533712 0.90 PTGER2 (0.40) PTGER2ADAMTS4
SCHEMBL534169 0.90 PTGER2 (0.40) PTGER2ADAMTS4
SCHEMBL533581 0.89 PTGER2 (0.33) PTGER2CA12CA1CA2CA9
SCHEMBL10323313 0.89 PTGER2 (0.33) PTGER2ADAMTS4ALDH1A1
SCHEMBL533799 0.89 PTGER2 (0.34) PTGER2
SCHEMBL11021481 0.89 PTGER2 (0.41) PTGER2ADAMTS4
SCHEMBL10322180 0.88 PTGER2 (0.34) PTGER2
SCHEMBL17472613 0.88 PTGER2 (0.47) PTGER2CA12CA1CA2CA9
SCHEMBL533807 0.87 PTGER2 (0.45) PTGER2CA12CA1CA2CA5A

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 4 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-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 US disclosed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 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 (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-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 PTGER2 24/4885CA12 1434/4885CA1 1757/4885

“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.