SCHEMBL534154

SCHEMBL534154

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
MAPT P10636 3/20 0.47
GAA P10253 3/20 0.38
GABRA2 P47869 3/20 0.36
GABRB2 P47870 3/20 0.36
ADORA3 P0DMS8 2/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 2/20 0.35
MAPK1 P28482 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 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
SCHEMBL465913 0.84 CYP1A2 (0.59) CYP1A2MAPTGAAGABRA2GABRB2
SCHEMBL3108926 0.83 CYP1A2 (0.57) CYP1A2MAPTGAAGABRA2GABRB2
SCHEMBL533622 0.83 GRM5 (0.36) KMT2A
SCHEMBL10316563 0.79 CYP1A2 (0.52) CYP1A2MAPTGAAGABRA2GABRB2
SCHEMBL10322535 0.79 CYP1A2 (0.49) CYP1A2MAPTGAAGABRA2GABRB2
SCHEMBL534621 0.78 GSTO1 (0.34)
SCHEMBL534536 0.77 NR1H2 (0.34)
SCHEMBL533883 0.77 GSTO1 (0.38)
SCHEMBL29265680 0.77 P2RX3 (0.37) CYP1A2GAAALDH1A1HPGDPOLB
SCHEMBL534121 0.74 GSTO1 (0.34) KDM4ENPC1RAB9A

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 16 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
US-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-09-06 US disclosed
US-20120184747-A1 ANILINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-07-19 US 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 (7 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 CYP1A2 344/4885MAPT 4245/4885GAA 4826/4885
US-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND PTGER2, PTGER1, LTB4R2 CYP1A2 881/4885MAPT 4683/4885GAA 4538/4885
US-20160060221-A1 SUBSTITUTED BIARYL COMPOUND FIBP, FGF2, FGFR2 CYP1A2 868/4885MAPT 4622/4885GAA 1721/4885
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 CYP1A2 159/4885MAPT 4180/4885GAA 2639/4885
US-20160213657-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PULMONARY DISEASE CFTR, ADRB3, ADRB2 CYP1A2 142/4885MAPT 3611/4885GAA 1337/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 CYP1A2 220/4885MAPT 4449/4885GAA 2602/4885
US-20120259123-A1 AMINOPYRIDINE COMPOUND PTGIS, QDPR, PTGIR CYP1A2 551/4885MAPT 557/4885GAA 1734/4885

“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.