SCHEMBL533528

SCHEMBL533528

CC(C)(C)OC(=O)N(c1cccc(CNS(=O)(=O)c2ccccn2)n1)C(C(=O)O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
PTGER2 P43116 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MCL1 Q07820 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSK P43235 2/20 0.35
ATM Q13315 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
ACHE P22303 1/20 0.35
KAT6A Q92794 1/20 0.34

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
SCHEMBL10316725 0.88 L3MBTL1 (0.44) L3MBTL1PTGER2ALDH1A1MCL1POLB
SCHEMBL533519 0.84 MAPT (0.42) PTGER2
SCHEMBL533716 0.83 KMT2A (0.39) L3MBTL1PTGER2ALDH1A1MCL1POLB
SCHEMBL533872 0.83 L3MBTL1 (0.48) L3MBTL1PTGER2ALDH1A1MCL1POLB
SCHEMBL533527 0.81 PTGER2 (0.32) PTGER2
SCHEMBL10320466 0.80 PTGER2 (0.54) PTGER2
SCHEMBL533316 0.80 PTGER2 (0.58) PTGER2
SCHEMBL533315 0.79 PTPRB (0.38) PTGER2CTSKCTSS
SCHEMBL534467 0.79 PTGER2 (0.53) PTGER2
SCHEMBL535026 0.79 ALOX5AP (0.33) PTGER2CTSKCTSBCTSS

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
US-20120184747-A1 ANILINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-07-19 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 (2 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-20120184747-A1 ANILINE COMPOUND PTGER2, ADRB2, PTGER1 L3MBTL1 4649/4885PTGER2 1/4885ALDH1A1 1199/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 L3MBTL1 4664/4885PTGER2 24/4885ALDH1A1 377/4885

“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.