SCHEMBL236372

SCHEMBL236372

COc1ccccc1C#Cc1cccc(C(O)CCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.43
DRD2 P14416 5/20 0.42
FFAR1 O14842 1/20 0.40
UTS2R Q9UKP6 2/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
BRD4 O60885 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
MALT1 Q9UDY8 1/20 0.36
ADRB2 P07550 1/20 0.36
HTR1A P08908 1/20 0.36
GPR88 Q9GZN0 1/20 0.36
IDO1 P14902 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL610513 0.89 PTGES (0.46) PTGESUTS2RDDB1CRBNCTSS
SCHEMBL27941337 0.87 MTNR1A (0.44) PTGESDRD2FFAR1
SCHEMBL3862302 0.87 PTGES (0.49) PTGESDRD2FFAR1ADRB2PTGDR2
SCHEMBL612574 0.85 PTGES (0.44) PTGESFFAR1PTGDR2
SCHEMBL612632 0.83 DDB1 (0.43) PTGESDRD2UTS2RDDB1CRBN
SCHEMBL238012 0.82 PTGES (0.43) PTGESDDB1CRBNCTSSCTSK
SCHEMBL612185 0.81 PTGES (0.52) PTGESDRD2FFAR1
SCHEMBL237116 0.81 ALOX5 (0.38) PTGESUTS2RDDB1CRBNCTSS
SCHEMBL235309 0.81 DDB1 (0.41) PTGESDRD2DDB1CRBNCTSS
SCHEMBL235625 0.80 CA12 (0.47) PTGESDRD2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9464033-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-10-11 US disclosed
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2015-11-19 US disclosed
US-9115056-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-08-25 US disclosed
US-20150045444-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2015-02-12 US disclosed
US-8895782-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-11-25 US disclosed
US-20140213617-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-07-31 US disclosed
US-8766007-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC (US) 2014-07-01 US disclosed
CN-101784188-B Alkynyl phenyl derivative compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC 2014-02-12 CN disclosed
US-8492589-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2013-07-23 US disclosed
US-8389771-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2013-03-05 US disclosed
US-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2013-01-31 US disclosed
US-20130018077-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2013-01-17 US disclosed
US-8299307-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2012-10-30 US disclosed
US-20120004269-A1 Alkynyl Phenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. (US) 2012-01-05 US disclosed
CN-101784188-A Alkynyl phenyl derivative compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC 2010-07-21 CN disclosed
EP-2076122-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP disclosed
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. 2009-03-05 US disclosed
WO-2009005794-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-01-08 WO 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-20130018077-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C PTGES 198/4885DRD2 1215/4885FFAR1 1035/4885
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders PDE6D, STARD3, PDE6C PTGES 198/4885DRD2 1215/4885FFAR1 1035/4885
US-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C PTGES 198/4885DRD2 1215/4885FFAR1 1035/4885
US-20150045444-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C PTGES 198/4885DRD2 1215/4885FFAR1 1035/4885
US-20120004269-A1 Alkynyl Phenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, STARD3, PDE6C PTGES 198/4885DRD2 1215/4885FFAR1 1035/4885
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C PTGES 198/4885DRD2 1215/4885FFAR1 1035/4885
US-20140213617-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C PTGES 198/4885DRD2 1215/4885FFAR1 1035/4885

“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.