SCHEMBL533502

SCHEMBL533502

CC(C)(C)OC(=O)N(c1cccc(C(Cc2ccc(-n3cccn3)cc2)NS(=O)(=O)c2ccccn2)n1)C(C(=O)O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 6/20 0.33
GPR119 Q8TDV5 1/20 0.33
PTGER4 P35408 1/20 0.32
PTPRB P23467 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
GCGR P47871 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
USP1 O94782 1/20 0.31
MMP13 P45452 1/20 0.31
MMP12 P39900 1/20 0.31
KAT6A Q92794 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
SCHEMBL533315 0.89 PTPRB (0.38) PTGER2PTPRB
SCHEMBL10320468 0.88 PTPRB (0.38) PTGER2PTPRBMMP13
SCHEMBL534466 0.88 PTPRB (0.34) PTGER2PTPRBMMP13
SCHEMBL533289 0.88 PTGER2 (0.43) PTGER2GPR119PTGER4GCGRMMP12
SCHEMBL533575 0.88 PTGER2 (0.34) PTGER2GPR119PTGER4PTPRBCA12
SCHEMBL10323124 0.84 PPARG (0.35) PTGER2PTPRBPPARGPPARAMMP13
SCHEMBL534497 0.84 PTPRB (0.37) PTGER2PTPRBMMP13
SCHEMBL533628 0.83 PTPRB (0.37) PTGER2PTPRBCA12CA1CA2
SCHEMBL535157 0.83 PTPRB (0.36) PTGER2PTPRBCA12CA1CA2
SCHEMBL533500 0.82 CA12 (0.35) PTGER2GPR119PTGER4CA12CA1

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 24/4885GPR119 1168/4885PTGER4 133/4885

“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.