SCHEMBL533628

SCHEMBL533628

Cc1cnc(-c2ccc(CC(NS(=O)(=O)c3ccccn3)c3cccc(N(C(=O)OC(C)(C)C)C(C(=O)O)C(C)(C)C)n3)cc2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 4/20 0.37
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP13 P45452 1/20 0.32
MMP12 P39900 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA5A P35218 2/20 0.31
CA9 Q16790 2/20 0.31
CA5B Q9Y2D0 2/20 0.31
PTGER2 P43116 5/20 0.31
HDAC4 P56524 1/20 0.31
ALOX5AP P20292 1/20 0.30
PAX8 Q06710 1/20 0.30
JAK2 O60674 1/20 0.30
S1PR4 O95977 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HSP90AA1 P07900 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
SCHEMBL534497 0.93 PTPRB (0.37) PTPRBMMP2MMP9MMP13PTGER2
SCHEMBL533315 0.91 PTPRB (0.38) PTPRBPTGER2
SCHEMBL535157 0.91 PTPRB (0.36) PTPRBMMP13CA12CA1CA2
SCHEMBL533326 0.88 PTPRB (0.37) PTPRBPTGER2HDAC4ALOX5APPAX8
SCHEMBL10320468 0.87 PTPRB (0.38) PTPRBMMP13PTGER2JAK2S1PR4
SCHEMBL534466 0.87 PTPRB (0.34) PTPRBMMP2MMP9MMP13PTGER2
SCHEMBL533502 0.83 PTGER2 (0.33) PTPRBMMP13MMP12CA12CA1
SCHEMBL533626 0.83 ALOX5AP (0.32) PTPRBMMP2MMP9CA12CA1
SCHEMBL10323124 0.82 PPARG (0.35) PTPRBMMP13PTGER2LMNA
SCHEMBL533627 0.82 PTGER2 (0.48) 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 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 PTPRB 4696/4885MMP2 1315/4885MMP9 2183/4885

“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.