SCHEMBL533744

SCHEMBL533744

Cc1nc(N(CC(=O)O)C(=O)OC(C)(C)C)ccc1Br

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.36
SSTR4 P31391 1/20 0.34
CSNK2A1 P68400 2/20 0.33
CSNK2A2 P19784 1/20 0.33
GSTO1 P78417 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
CNR2 P34972 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 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
SCHEMBL27803018 0.91 GSTO1 (0.37) RAB9ASSTR4CSNK2A1CSNK2A2GSTO1
SCHEMBL533561 0.85 SSTR4 (0.35) SSTR4CSNK2A1CSNK2A2GSTO1NPSR1
SCHEMBL20580580 0.81 SSTR4 (0.38) RAB9ASSTR4CNR2NPC1ALDH1A1
SCHEMBL20581635 0.80 SSTR4 (0.36) RAB9ASSTR4NPSR1NPC1ALDH1A1
SCHEMBL533622 0.79 GRM5 (0.36) CSNK2A1CSNK2A2GSTO1
SCHEMBL23320977 0.78 GBA1 (0.41) RAB9ASSTR4NPC1ALDH1A1
SCHEMBL533746 0.78 SSTR4 (0.33) RAB9ASSTR4NPSR1CNR2NPC1
SCHEMBL6353530 0.77 NCF1 (0.42) RAB9AGSTO1NPSR1NPC1
SCHEMBL16830710 0.76 USP30 (0.35) SSTR4CNR2
SCHEMBL534485 0.75 SSTR4 (0.31) RAB9ASSTR4NPSR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
EP-2520570-A1 AMINOPYRIDINE COMPOUND Ube Industries, Ltd. (JP) 2012-11-07 EP disclosed
US-20120259123-A1 AMINOPYRIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-10-11 US disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US disclosed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 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 (3 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-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 RAB9A 2549/4885SSTR4 1652/4885CSNK2A1 467/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 RAB9A 2112/4885SSTR4 1453/4885CSNK2A1 424/4885
US-20120259123-A1 AMINOPYRIDINE COMPOUND PTGIS, QDPR, PTGIR RAB9A 1386/4885SSTR4 3207/4885CSNK2A1 2583/4885

“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.