SCHEMBL533606

SCHEMBL533606

CC(C)(C)OC(=O)N(CC(=O)O)c1cccc(C(N)(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2ccc(F)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 6/20 0.37
PTGER4 P35408 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
TP53 P04637 2/20 0.32
RORC P51449 1/20 0.31
LMNA P02545 1/20 0.31
PER2 O15055 1/20 0.31
CRY1 Q16526 1/20 0.31

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
SCHEMBL534556 0.91 PTGER2 (0.46) PTGER2PTGER4CA12CA1CA2
SCHEMBL533573 0.88 PTGER2 (0.36) PTGER2PTGER4CA12CA1CA2
SCHEMBL12982205 0.87 PTGER2 (0.42) PTGER2CA12CA1CA2CA9
SCHEMBL533778 0.86 CA12 (0.36) PTGER2PTGER4CA12CA1CA2
SCHEMBL533841 0.84 GPR119 (0.34) PTGER2GPR119
SCHEMBL3458776 0.83 PTGER2 (0.43) PTGER2
SCHEMBL12981939 0.82 PTGER2 (0.36) PTGER2RORC
SCHEMBL12982044 0.82 PTGER2 (0.34) PTGER2
SCHEMBL534368 0.82 GRM2 (0.32) PTGER2
SCHEMBL533607 0.81 PTGER2 (0.52) PTGER2PTGER4

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 1/4885PTGER4 17/4885CA12 2475/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 PTGER2 1/4885PTGER4 17/4885CA12 2441/4885

“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.