SCHEMBL533647

SCHEMBL533647

CC(C)(C)OC(=O)N(CC(=O)O)c1cccc(C(Cc2ccc(-c3ccccc3)cc2)NS(=O)(=O)c2cccnc2)n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 14/20 0.41
BCL2 P10415 1/20 0.37
PTPRB P23467 1/20 0.36
F2 P00734 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
ADAMTS4 O75173 1/20 0.35
P2RX7 Q99572 1/20 0.35

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
SCHEMBL3458781 0.95 PTGER2 (0.42) PTGER2F2ADAMTS4
SCHEMBL3460024 0.95 PTGER2 (0.42) PTGER2
SCHEMBL535061 0.94 PTGER2 (0.44) PTGER2F2ADAMTS4
SCHEMBL533809 0.93 PTGER2 (0.44) PTGER2BCL2PTPRBF2ADAMTS4
SCHEMBL15361809 0.93 PTGER2 (0.37) PTGER2PTPRBF2P2RX7
SCHEMBL3459165 0.92 PTGER2 (0.38) PTGER2F2P2RX7
SCHEMBL17472709 0.92 PTGER2 (0.49) PTGER2BCL2F2
SCHEMBL12983336 0.92 PTGER2 (0.41) PTGER2F2P2RX7
SCHEMBL10316898 0.92 PTGER2 (0.38) PTGER2PTPRBF2P2RX7
SCHEMBL12981049 0.90 PTGER2 (0.37) PTGER2F2P2RX7

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 1/4885BCL2 3786/4885PTPRB 2129/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 PTGER2 1/4885BCL2 3982/4885PTPRB 2141/4885

“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.