SCHEMBL534305

SCHEMBL534305

CC(C)(C)OC(=O)N(c1cccc(C(N)(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2ccccn2)n1)C(C(=O)O)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
PTGER2 P43116 11/20 0.32
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
F2 P00734 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA5A P35218 1/20 0.30
CA9 Q16790 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL533406 0.91 ALOX5AP (0.34) PTGER2F2CA12CA1CA2
SCHEMBL10320465 0.91 F2 (0.34) KDM4EALDH1A1PTGER2F2
SCHEMBL535155 0.90 CA12 (0.32) KDM4ECA12CA1CA2CA5A
SCHEMBL533626 0.90 ALOX5AP (0.32) CA12CA1CA2CA5ACA9
SCHEMBL534349 0.90 KAT6A (0.32) KDM4EALDH1A1PTGER2CA12CA1
SCHEMBL534495 0.90 PTPRB (0.30)
SCHEMBL11021648 0.89 PPARD (0.32)
SCHEMBL533500 0.87 CA12 (0.35) PTGER2CA12CA1CA2CA5A
SCHEMBL534463 0.87 USP30 (0.36) F2CA1CA2CA9
SCHEMBL10323122 0.87 PPARG (0.32) F2

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 4 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
US-20080090972-A1 Oligomers and Polymers Containing Sulfinate Groups, and Methods for Producing the Same KERRES JOCHEN 2008-04-17 US 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 KDM4E 3706/4885ALDH1A1 377/4885PTGER2 24/4885

“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.