SCHEMBL5250600

SCHEMBL5250600

CCCCCCOP(=O)(OC#N)OCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.54
LPAR3 Q9UBY5 8/20 0.52
LPAR2 Q9HBW0 6/20 0.52
LPAR1 Q92633 3/20 0.52
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
ESR1 P03372 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CDC25A P30304 1/20 0.42
AGTR1 P30556 1/20 0.42
AKT1 P31749 1/20 0.42
ADRA1A P35348 1/20 0.42
KCNH2 Q12809 1/20 0.42
LPAR5 Q9H1C0 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
SCHEMBL6912100 0.98 CYP3A4 (0.56) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL258275 0.81 CYP3A4 (0.80) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL22230793 0.81 CYP3A4 (0.80) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL10608661 0.81 CYP3A4 (0.80) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL258318 0.81 CYP3A4 (0.80) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL625931 0.81 CYP3A4 (0.80) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL21439847 0.81 CYP3A4 (0.80) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL21437266 0.81 CYP3A4 (0.80) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL20483847 0.81 CYP3A4 (0.80) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL21440331 0.81 CYP3A4 (0.80) CYP3A4LPAR3LPAR2LPAR1TSHR

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 CYP3A4 969/4885LPAR3 2529/4885LPAR2 3586/4885
US-20030158164-A1 Novel antiandrogenic agent NR5A1, CYP19A1, HSD17B11 CYP3A4 728/4885LPAR3 3200/4885LPAR2 2858/4885

“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.