SCHEMBL6516006

SCHEMBL6516006

CC(C)(Cc1ccc(Br)c(C(Cc2ccc(-c3ccccc3)nn2)NS(=O)(=O)c2cccnc2)n1)OC(=O)NCC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 7/20 0.32
ADAM17 P78536 1/20 0.32
ITGAV P06756 2/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
USP2 O75604 1/20 0.30
USP8 P40818 1/20 0.30
ITGB3 P05106 1/20 0.30
TBXA2R P21731 1/20 0.30
TBXAS1 P24557 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
SCHEMBL534420 0.89 ADAM17 (0.37) ADAM17ITGAVSLC1A3SLC1A2SLC1A1
SCHEMBL3458635 0.81 PTGER2 (0.33) PTGER2
SCHEMBL15647720 0.81 PTGER2 (0.43) PTGER2
SCHEMBL3458629 0.80 F2 (0.31) PTGER2ADAM17SLC1A3SLC1A2SLC1A1
SCHEMBL6516015 0.79 PTGER2 (0.31) PTGER2SLC1A3SLC1A2SLC1A1
SCHEMBL533748 0.78 SLC1A3 (0.32) PTGER2ADAM17ITGAVSLC1A3SLC1A2
SCHEMBL534421 0.77 SLC1A3 (0.31) ADAM17SLC1A3SLC1A2SLC1A1
SCHEMBL533794 0.72 PTGER2 (0.49) PTGER2
Hydrochloric Acid SCHEMBL533660 0.72 PTGER2 (0.49) PTGER2
SCHEMBL11021873 0.72 PTGER2 (0.40) 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 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 PTGER2 1/4885ADAM17 4061/4885ITGAV 1645/4885

“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.