SCHEMBL534124

SCHEMBL534124

CC(C)(C)OC(=O)N(CC(=O)O)c1cccc(C(N)(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)S(=O)(=O)c2ccccn2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
USP30 Q70CQ3 1/20 0.33
F2 P00734 3/20 0.32
PTGER2 P43116 2/20 0.32
AAK1 Q2M2I8 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
F11 P03951 1/20 0.30

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
SCHEMBL13571621 0.89 PTGER2 (0.35) F2PTGER2
SCHEMBL534463 0.88 USP30 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17472671 0.87 PTGER2 (0.34) F2PTGER2
SCHEMBL12981021 0.87 PTGER2 (0.43) F2PTGER2KEAP1NFE2L2
SCHEMBL533415 0.87 PTGER2 (0.34) F2PTGER2
SCHEMBL10316584 0.86 F2 (0.38) F2PTGER2
SCHEMBL12982842 0.85 PTGER2 (0.36) F2PTGER2
SCHEMBL12981727 0.85 PTGER2 (0.33) F2PTGER2
SCHEMBL12982759 0.85 PTGER2 (0.36) F2PTGER2
SCHEMBL12983242 0.85 PTGER2 (0.33) CA1CA2F2PTGER2KEAP1

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 HDAC3 1066/4885HDAC4 1636/4885HDAC1 1052/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 HDAC3 1145/4885HDAC4 1584/4885HDAC1 1320/4885

“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.