SCHEMBL534227

SCHEMBL534227

CC(C)(C)OC(=O)N(c1cccc(C(Cc2cc3ccccc3s2)NS(=O)(=O)c2cccnc2)n1)C(C(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 6/20 0.41
ITGB3 P05106 5/20 0.35
ITGA2B P08514 5/20 0.35
MMP13 P45452 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
ITGAV P06756 2/20 0.34
KDM4C Q9H3R0 1/20 0.32
F2 P00734 1/20 0.32
NAMPT P43490 1/20 0.31
USP2 O75604 1/20 0.31
USP8 P40818 1/20 0.31
ADAM17 P78536 1/20 0.31
CYP3A4 P08684 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
SCHEMBL533441 0.92 PTGER2 (0.34) PTGER2ITGB3ITGA2BSLC1A3SLC1A2
SCHEMBL533374 0.91 USP2 (0.35) PTGER2ITGB3ITGA2BMMP13SLC1A3
SCHEMBL533551 0.88 PTGER2 (0.44) PTGER2ITGB3ITGA2BMMP13SLC1A3
SCHEMBL534592 0.86 PTGER2 (0.44) PTGER2MMP13SLC1A3SLC1A2SLC1A1
SCHEMBL534320 0.85 PTGER2 (0.38) PTGER2ITGB3SLC1A3SLC1A2SLC1A1
SCHEMBL10323317 0.84 SLC1A3 (0.34) PTGER2SLC1A3SLC1A2SLC1A1F2
SCHEMBL533795 0.84 SLC1A3 (0.35) PTGER2MMP13SLC1A3SLC1A2SLC1A1
SCHEMBL10322183 0.83 PTPRB (0.35) PTGER2ITGB3SLC1A3SLC1A2SLC1A1
SCHEMBL533428 0.82 SLC1A3 (0.33) PTGER2ITGB3SLC1A3SLC1A2SLC1A1
SCHEMBL533698 0.82 PTGER2 (0.42) PTGER2ITGB3MMP13SLC1A3SLC1A2

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 PTGER2 24/4885ITGB3 3236/4885ITGA2B 4401/4885

“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.