SCHEMBL533746

SCHEMBL533746

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.33
RAB9A P51151 2/20 0.32
CNR2 P34972 2/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRM2 Q14416 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
NPC1 O15118 1/20 0.30
KMT2A Q03164 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
SCHEMBL533563 0.86 SSTR4 (0.34) SSTR4CNR2GRM2
SCHEMBL533744 0.78 RAB9A (0.36) SSTR4RAB9ACNR2NPSR1NPC1
SCHEMBL534487 0.76 SSTR4 (0.30) SSTR4KDM4EL3MBTL1
SCHEMBL534538 0.75 BRD4 (0.33) GRM2
SCHEMBL25447673 0.74 RAB9A (0.37) RAB9AKDM4EL3MBTL1NPC1KMT2A
SCHEMBL27803018 0.71 GSTO1 (0.37) SSTR4RAB9ACNR2NPC1KMT2A
SCHEMBL10316959 0.71 GABRP (0.33) GRM2
SCHEMBL20580580 0.71 SSTR4 (0.38) SSTR4RAB9ACNR2KDM4ENPC1
SCHEMBL20581635 0.70 SSTR4 (0.36) SSTR4RAB9AKDM4ENPSR1NPC1
SCHEMBL7719558 0.70 HDAC6 (0.38) KDM4EL3MBTL1KMT2A

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 SSTR4 1652/4885RAB9A 2549/4885CNR2 46/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 SSTR4 1453/4885RAB9A 2112/4885CNR2 39/4885
US-20120259123-A1 AMINOPYRIDINE COMPOUND PTGIS, QDPR, PTGIR SSTR4 3207/4885RAB9A 1386/4885CNR2 613/4885

“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.