SCHEMBL533608

SCHEMBL533608

CC(C)(C)OC(=O)N(CC(=O)O)c1cccc(C(NCc2ccc(-n3cccn3)cc2)S(=O)(=O)c2ccc(F)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 3/20 0.35
PTGER4 P35408 1/20 0.35
NAMPT P43490 4/20 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
GCGR P47871 1/20 0.33
TP53 P04637 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
RORC P51449 1/20 0.33
POLB P06746 1/20 0.32
GNRHR P30968 1/20 0.32

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
SCHEMBL10316611 0.90 PTGER2 (0.45) PTGER2PTGER4NAMPTGCGRGPR119
SCHEMBL533780 0.88 PTGER2 (0.35) PTGER2PTGER4NAMPTMAPTMEN1
SCHEMBL533843 0.84 ADRB2 (0.36) PTGER2MEN1KMT2AGPR119
SCHEMBL12982046 0.83 PTGER2 (0.35) PTGER2RORCGNRHR
SCHEMBL533697 0.81 PTGER2 (0.46) PTGER2PTGER4NAMPTGPR119
SCHEMBL12982968 0.81 PTGER2 (0.40) PTGER2
SCHEMBL533606 0.81 PTGER2 (0.37) PTGER2PTGER4MAPTMEN1PKM
SCHEMBL533607 0.80 PTGER2 (0.52) PTGER2PTGER4
SCHEMBL533705 0.80 PTGER2 (0.51) PTGER2PTGER4NAMPTMAPTMEN1
SCHEMBL13571347 0.78 PTGER2 (0.43) PTGER2NAMPT

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 17/4885NAMPT 2339/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 PTGER2 1/4885PTGER4 17/4885NAMPT 2422/4885

“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.