SCHEMBL533622

SCHEMBL533622

Cc1cccc(N(CC(=O)O)C(=O)OC(C)(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.36
GSTO1 P78417 1/20 0.35
OPRM1 P35372 2/20 0.35
MEN1 O00255 1/20 0.35
OPRD1 P41143 1/20 0.35
KMT2A Q03164 1/20 0.35
GLA P06280 1/20 0.35
P2RX7 Q99572 1/20 0.34
F2 P00734 3/20 0.34
MCL1 Q07820 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2A1 P68400 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FFAR1 O14842 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL7040682 0.86 GRM5 (0.37) GRM5OPRM1MEN1OPRD1KMT2A
SCHEMBL31150986 0.85 GRM5 (0.37) GRM5OPRM1MEN1OPRD1KMT2A
SCHEMBL534621 0.84 GSTO1 (0.34) GSTO1F2MCL1CSNK2A2CSNK2A1
SCHEMBL534536 0.83 NR1H2 (0.34) GSTO1F2MCL1CSNK2A2CSNK2A1
SCHEMBL533883 0.83 GSTO1 (0.38) GSTO1F2MCL1
SCHEMBL534154 0.83 CYP1A2 (0.52) KMT2A
SCHEMBL534122 0.80 GSTO1 (0.34) GSTO1F2MCL1
SCHEMBL534121 0.80 GSTO1 (0.34) GSTO1F2MCL1
SCHEMBL959885 0.80 GRM5 (0.38) GRM5OPRM1MEN1OPRD1KMT2A
SCHEMBL7500028 0.80 POLB (0.52) MEN1KMT2AALOX15TSHRCYP2C19

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 7 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-2520570-A1 AMINOPYRIDINE COMPOUND Ube Industries, Ltd. (JP) 2012-11-07 EP disclosed
US-20120259123-A1 AMINOPYRIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-10-11 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 (3 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 GRM5 962/4885GSTO1 2621/4885OPRM1 787/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 GRM5 951/4885GSTO1 2686/4885OPRM1 832/4885
US-20120259123-A1 AMINOPYRIDINE COMPOUND PTGIS, QDPR, PTGIR GRM5 341/4885GSTO1 3640/4885OPRM1 1537/4885

“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.