SCHEMBL533698

SCHEMBL533698

CC(C)(C)OC(=O)N(c1cccc(C(Cc2ccc(-c3ccccn3)cc2)NS(=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 6/20 0.42
ADAMTS4 O75173 2/20 0.35
PTPRB P23467 2/20 0.35
UGT1A1 P22309 2/20 0.33
MLNR O43193 1/20 0.33
NR1I2 O75469 1/20 0.33
SLCO2B1 O94956 1/20 0.33
ABCB11 O95342 1/20 0.33
ABCB1 P08183 1/20 0.33
CCKAR P32238 1/20 0.33
OPRK1 P41145 1/20 0.33
GHSR Q92847 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33

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
SCHEMBL534320 0.94 PTGER2 (0.38) PTGER2ADAMTS4PTPRBSLC1A3SLC1A2
SCHEMBL533714 0.90 PTGER2 (0.40) PTGER2ADAMTS4PTPRBSLC1A3SLC1A2
SCHEMBL534170 0.90 PTGER2 (0.40) PTGER2ADAMTS4SLC1A3SLC1A2SLC1A1
SCHEMBL10323317 0.90 SLC1A3 (0.34) PTGER2ADAMTS4PTPRBSLC1A3SLC1A2
SCHEMBL533795 0.89 SLC1A3 (0.35) PTGER2ADAMTS4PTPRBSLC1A3SLC1A2
SCHEMBL534195 0.89 PTGER2 (0.41) PTGER2ADAMTS4PTPRBSLC1A3SLC1A2
SCHEMBL10322183 0.89 PTPRB (0.35) PTGER2ADAMTS4PTPRBSLC1A3SLC1A2
SCHEMBL533809 0.88 PTGER2 (0.44) PTGER2ADAMTS4PTPRBUGT1A1MLNR
SCHEMBL17472618 0.88 PTGER2 (0.47) PTGER2ADAMTS4MMP13ITGB3ITGAV
SCHEMBL533428 0.86 SLC1A3 (0.33) PTGER2ADAMTS4PTPRBSLC1A3SLC1A2

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 24/4885ADAMTS4 3278/4885PTPRB 4696/4885

“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.