SCHEMBL534370

SCHEMBL534370

CC(C)(C)OC(=O)N(CC(=O)O)c1cccc(C(Cc2ccc(C3=NCCS3)cc2)NS(=O)(=O)c2ccc(F)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.36
USP30 Q70CQ3 2/20 0.33
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
MMP12 P39900 2/20 0.32
MMP14 P50281 2/20 0.32
ADAMTS4 O75173 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
PTPN1 P18031 2/20 0.32
P2RX7 Q99572 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
PTGER2 P43116 2/20 0.31
S1PR1 P21453 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
SCHEMBL533735 0.88 MMP13 (0.37) MMP13USP30MMP1MMP2MMP9
SCHEMBL12982212 0.86 PTGER2 (0.43) MMP13USP30PTGER2S1PR1
SCHEMBL12981943 0.83 MMP13 (0.36) MMP13USP30CTSLCTSSCTSK
SCHEMBL3458781 0.83 PTGER2 (0.42) MMP13USP30ADAMTS4PTGER2
SCHEMBL534368 0.82 GRM2 (0.32) PTGER2
SCHEMBL532960 0.81 PTGER2 (0.42) MMP13MMP1MMP2MMP9MMP8
SCHEMBL534369 0.80 PTGER2 (0.49) PTGER2
SCHEMBL13571029 0.79 PTGER2 (0.44) PTPN1NPSR1PTGER2
SCHEMBL13570863 0.79 PTGER2 (0.43) MMP2PTGER2S1PR1
SCHEMBL13571911 0.78 PTGER2 (0.45) MMP13USP30MMP1MMP2MMP9

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 MMP13 1501/4885USP30 3645/4885MMP1 1515/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 MMP13 1500/4885USP30 3598/4885MMP1 1764/4885

“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.