SCHEMBL535157

SCHEMBL535157

Cc1nc(-c2ccc(CC(NS(=O)(=O)c3ccccn3)c3cccc(N(C(=O)OC(C)(C)C)C(C(=O)O)C(C)(C)C)n3)cc2)sc1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 5/20 0.36
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA5A P35218 3/20 0.34
CA9 Q16790 3/20 0.34
CA5B Q9Y2D0 3/20 0.34
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
PAX8 Q06710 1/20 0.32
MMP13 P45452 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PTGER2 P43116 5/20 0.31
OPRM1 P35372 1/20 0.31
PPARD Q03181 1/20 0.31

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 0.91 PTPRB (0.38) PTPRBPTGER2
SCHEMBL533628 0.91 PTPRB (0.37) PTPRBCA12CA1CA2CA5A
SCHEMBL534497 0.89 PTPRB (0.37) PTPRBPAX8MMP13PTGER2
SCHEMBL533482 0.88 PTPRB (0.35) PTPRBCA12CA1CA2CA5A
SCHEMBL534466 0.87 PTPRB (0.34) PTPRBMMP13PTGER2
SCHEMBL10320468 0.87 PTPRB (0.38) PTPRBMMP13PTGER2
SCHEMBL535155 0.83 CA12 (0.32) CA12CA1CA2CA5ACA9
SCHEMBL533502 0.83 PTGER2 (0.33) PTPRBCA12CA1CA2CA5A
SCHEMBL10323124 0.82 PPARG (0.35) PTPRBPPARGPPARAMMP13PTGER2
SCHEMBL535156 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 4696/4885CA12 1434/4885CA1 1757/4885

“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.