SCHEMBL6519253

SCHEMBL6519253

CC(=O)ONC(=O)OC(C)(C)Cc1cccc(C(Cc2ccc(Br)cc2)NS(=O)(=O)c2cccnc2)n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
PTGER2 P43116 6/20 0.33
ADAM17 P78536 2/20 0.33
TBXAS1 P24557 1/20 0.32
MMP1 P03956 2/20 0.31
MMP9 P14780 2/20 0.31
MMP13 P45452 2/20 0.31
USP30 Q70CQ3 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
KMT2A Q03164 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
SCHEMBL6519257 0.79 PTGER2 (0.53) PTGER2
SCHEMBL534417 0.77 CTSS (0.40) SLC1A3SLC1A2SLC1A1PTGER2ADAM17
SCHEMBL6519267 0.77 PTGER2 (0.34) SLC1A3SLC1A2SLC1A1PTGER2ADAM17
SCHEMBL3459165 0.74 PTGER2 (0.38) SLC1A3SLC1A2SLC1A1PTGER2ADAM17
SCHEMBL533795 0.73 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1PTGER2ADAM17
SCHEMBL3459169 0.71 PTGER2 (0.41) PTGER2
SCHEMBL533797 0.71 PTGER2 (0.36) PTGER2ADAM17MMP1MMP9MMP13
SCHEMBL533073 0.69 PTGER2 (0.46) PTGER2KMT2A
SCHEMBL30063042 0.69 PTGER2 (0.46) PTGER2KMT2A
SCHEMBL15412005 0.69 PTGER2 (0.47) PTGER2KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US 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 (1 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-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 SLC1A3 468/4885SLC1A2 265/4885SLC1A1 293/4885

“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.