SCHEMBL534362

SCHEMBL534362

CC(C)(C)OC(=O)N(CC(=O)O)c1cccc(C(Cc2cc3ccc(Cl)cc3s2)NS(=O)(=O)c2cccnc2)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 6/20 0.36
TP53 P04637 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ITGB3 P05106 4/20 0.33
ITGA2B P08514 4/20 0.33
ITGAV P06756 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
F2 P00734 2/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
POLB P06746 1/20 0.31
TBXAS1 P24557 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL533551 0.92 PTGER2 (0.44) PTGER2TP53LMNAITGB3ITGA2B
SCHEMBL534310 0.91 KEAP1 (0.36) PTGER2LMNAITGB3ITGA2BF2
SCHEMBL533441 0.88 PTGER2 (0.34) PTGER2TP53LMNAMAPTITGB3
SCHEMBL3460024 0.85 PTGER2 (0.42) PTGER2TBXAS1
SCHEMBL534360 0.83 PTGER2 (0.37) PTGER2TP53LMNAMAPTTRPM8
SCHEMBL12981128 0.82 PTGER2 (0.32) PTGER2ITGB3ITGA2BITGAVF2
SCHEMBL12982670 0.81 PTGER2 (0.45) PTGER2MAPTITGB3ITGAVF2
SCHEMBL533647 0.81 PTGER2 (0.41) PTGER2ITGB3ITGAVF2
SCHEMBL3459165 0.81 PTGER2 (0.38) PTGER2F2SLC1A3SLC1A2SLC1A1
SCHEMBL534361 0.81 PTGER2 (0.54) PTGER2

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
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 1/4885TP53 4576/4885LMNA 2331/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 PTGER2 1/4885TP53 4643/4885LMNA 2721/4885

“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.