SCHEMBL5250599

SCHEMBL5250599

CCCCCCOP(=O)(C#N)OCCCCCC

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 11/20 0.55
LPAR2 Q9HBW0 7/20 0.55
LPAR1 Q92633 6/20 0.55
CYP3A4 P08684 1/20 0.46
AKT1 P31749 2/20 0.44
LMNA P02545 1/20 0.44
ESR1 P03372 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CDC25A P30304 1/20 0.44
AGTR1 P30556 1/20 0.44
ADRA1A P35348 1/20 0.44
KCNH2 Q12809 1/20 0.44
LPAR5 Q9H1C0 1/20 0.39
TERT O14746 1/20 0.37
UCHL3 P15374 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL19602981 1.00 LPAR3 (0.55) LPAR3LPAR2LPAR1CYP3A4AKT1
SCHEMBL5971975 0.98 LPAR3 (0.52) LPAR3LPAR2LPAR1CYP3A4AKT1
SCHEMBL11538693 0.91 CYP3A4 (0.56) LPAR3LPAR2LPAR1CYP3A4
SCHEMBL29208277 0.79 CYP3A4 (0.57) LPAR3LPAR2LPAR1CYP3A4AKT1
SCHEMBL5971972 0.78 LPAR3 (0.59) LPAR3LPAR2LPAR1CYP3A4AKT1
SCHEMBL5250600 0.76 CYP3A4 (0.54) LPAR3LPAR2LPAR1CYP3A4AKT1
SCHEMBL29208266 0.76 CYP3A4 (0.59) LPAR3LPAR2LPAR1CYP3A4AKT1
SCHEMBL31191220 0.76 LPAR3 (0.52) LPAR3LPAR2LPAR1CYP3A4AKT1
SCHEMBL25174010 0.76 LPAR3 (0.61) LPAR3LPAR2LPAR1CYP3A4AKT1
SCHEMBL15398266 0.76 LPAR3 (0.61) LPAR3LPAR2LPAR1CYP3A4AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470829-B2 Imidazolidine derivative and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-06-25 US disclosed
US-20110306615-A1 NOVEL IMIDAZOLIDINE DERIVATIVE AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-12-15 US disclosed
EP-1790640-A1 NOVEL IMIDAZOLIDINE DERIVATIVE AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-30 EP disclosed
US-7018993-B2 Antiandrogenic agent CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-03-28 US disclosed
US-20030158164-A1 Novel antiandrogenic agent CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-21 US disclosed
EP-1304334-A1 NOVEL ANTIANDROGENIC AGENT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-23 EP disclosed
EP-1219631-A1 ANTIANDROGEN AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-07-03 EP disclosed
EP-0798298-B1 THIAZOLIDINONE OR OXAZOLIDINONE DERIVATIVES TO TREAT ANGINA PECTORIS OR COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENT SANKYO CO (JP) 2001-08-08 EP disclosed
EP-0812835-B1 OPTICALLY ACTIVE THIAZOLIDINONE DERIVATIVES SANKYO CO (JP) 2001-05-23 EP disclosed
US-5925658-A PREVENTING OR TREATING ANGINA PECTORIS SANKYO COMPANY, LIMITED (JP) 1999-07-20 US disclosed
US-5891898-A ANTIULCER AGENT SANKYO COMPANY, LIMITED (JP) 1999-04-06 US disclosed
US-5843973-A Thiazolidinone compounds and composition for angina pectoris comprising the compounds as an active ingredient SANKYO COMPANY, LIMITED (JP) 1998-12-01 US disclosed
EP-0812835-A1 OPTICALLY ACTIVE THIAZOLIDINONE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1997-12-17 EP disclosed
EP-0798298-A1 THIAZOLIDINONE COMPOUNDS OR ANGINA PECTORIS REMEDY OR PREVENTIVE CONTAINING THE SAME AS ACTIVE INGREDIENT SANKYO COMPANY LIMITED (JP) 1997-10-01 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 (2 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-20110306615-A1 NOVEL IMIDAZOLIDINE DERIVATIVE AND USE THEREOF CBR1, NR0B1, CNKSR1 LPAR3 2529/4885LPAR2 3586/4885LPAR1 2334/4885
US-20030158164-A1 Novel antiandrogenic agent NR5A1, CYP19A1, HSD17B11 LPAR3 3200/4885LPAR2 2858/4885LPAR1 3145/4885

“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.