SCHEMBL534538

SCHEMBL534538

CC(C)(C)OC(=O)N(CC(=O)O)C(=O)c1cccc(CN)n1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
GRM2 Q14416 1/20 0.32
SLC7A5 Q01650 1/20 0.32
NR1H2 P55055 1/20 0.31
MRGPRX4 Q96LA9 2/20 0.31
MBOAT4 Q96T53 1/20 0.31
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30
AKT1 P31749 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
SCHEMBL17472656 0.80 NR1H2 (0.40) NR1H2
SCHEMBL13571267 0.79 SLC7A5 (0.32) BRD4SLC7A5NR1H2MBOAT4
SCHEMBL533688 0.78 SLC7A5 (0.34) BRD4SLC7A5
SCHEMBL534536 0.78 NR1H2 (0.34) SLC7A5NR1H2HTR2CSLC6A4
SCHEMBL14686051 0.76 CYP1A2 (0.44) BRD4SLC7A5NR1H2MRGPRX4
SCHEMBL12982974 0.75 PTGER2 (0.62)
SCHEMBL533746 0.75 SSTR4 (0.33) GRM2
SCHEMBL533563 0.73 SSTR4 (0.34) GRM2
SCHEMBL535048 0.72 PTGER2 (0.60)
SCHEMBL3458984 0.72 PTGER2 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676720-B2 Substituted biaryl compound UBE INDUSTRIES, LTD. (JP) 2017-06-13 US disclosed
US-20160213657-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PULMONARY DISEASE UBE INDUSTRIES, LTD. (JP) 2016-07-28 US disclosed
EP-3042656-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PULMONARY DISEASE UBE Industries, Ltd. (JP) 2016-07-13 EP disclosed
US-20160060221-A1 SUBSTITUTED BIARYL COMPOUND UBE INDUSTRIES, LTD. (JP) 2016-03-03 US disclosed
EP-2980075-A1 SUBSTITUTED BIARYL COMPOUND UBE Industries, Ltd. (JP) 2016-02-03 EP disclosed
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-2476668-B1 ANILINE COMPOUNDS UBE INDUSTRIES (JP) 2013-11-06 EP 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-2476678-A1 SUBSTITUTED CARBONYL COMPOUNDS Ube Industries, Ltd. (JP) 2012-07-18 EP disclosed
EP-2476668-A1 ANILINE COMPOUNDS Ube Industries, Ltd. (JP) 2012-07-18 EP 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 (5 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-20160060221-A1 SUBSTITUTED BIARYL COMPOUND FIBP, FGF2, FGFR2 BRD4 36/4885GRM2 4256/4885SLC7A5 672/4885
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 BRD4 840/4885GRM2 554/4885SLC7A5 1619/4885
US-20160213657-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PULMONARY DISEASE CFTR, ADRB3, ADRB2 BRD4 662/4885GRM2 2684/4885SLC7A5 1336/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 BRD4 932/4885GRM2 567/4885SLC7A5 1531/4885
US-20120259123-A1 AMINOPYRIDINE COMPOUND PTGIS, QDPR, PTGIR BRD4 1503/4885GRM2 923/4885SLC7A5 346/4885

“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.