SCHEMBL533428

SCHEMBL533428

CC(C)(C)OC(=O)N(c1cccc(C(Cc2ccc(-c3ccccc3)nn2)NS(=O)(=O)c2cccnc2)n1)C(C(=O)O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
PTGER2 P43116 9/20 0.32
ITGAV P06756 2/20 0.32
ADAMTS4 O75173 1/20 0.31
ADAM17 P78536 1/20 0.31
PTPRB P23467 1/20 0.31
USP2 O75604 1/20 0.30
USP8 P40818 1/20 0.30
F2 P00734 1/20 0.30
ITGB3 P05106 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
SCHEMBL533748 0.89 SLC1A3 (0.32) SLC1A3SLC1A2SLC1A1PTGER2ITGAV
SCHEMBL534320 0.88 PTGER2 (0.38) SLC1A3SLC1A2SLC1A1PTGER2ITGAV
SCHEMBL3459567 0.88 PTGER2 (0.35) SLC1A3SLC1A2SLC1A1PTGER2ITGAV
SCHEMBL533698 0.86 PTGER2 (0.42) SLC1A3SLC1A2SLC1A1PTGER2ITGAV
SCHEMBL10323317 0.84 SLC1A3 (0.34) SLC1A3SLC1A2SLC1A1PTGER2ADAMTS4
SCHEMBL533795 0.84 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1PTGER2ITGAV
SCHEMBL533714 0.83 PTGER2 (0.40) SLC1A3SLC1A2SLC1A1PTGER2ITGAV
SCHEMBL534170 0.83 PTGER2 (0.40) SLC1A3SLC1A2SLC1A1PTGER2ITGAV
SCHEMBL10322183 0.83 PTPRB (0.35) SLC1A3SLC1A2SLC1A1PTGER2ITGAV
SCHEMBL533426 0.82 PTGER2 (0.32) PTGER2ADAMTS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 US disclosed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 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 (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-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 SLC1A3 655/4885SLC1A2 646/4885SLC1A1 467/4885

“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.