SCHEMBL12987367

SCHEMBL12987367

O=C(O)Cc1ccc(OCc2ccccc2)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.60
PRKX P51817 1/20 0.60
ACVR1 Q04771 1/20 0.60
S1PR5 Q9H228 1/20 0.60
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MRGPRX4 Q96LA9 1/20 0.53
ALDH1A1 P00352 1/20 0.52
MAOB P27338 3/20 0.50
FFAR1 O14842 2/20 0.50
NR4A2 P43354 2/20 0.50
FFAR4 Q5NUL3 1/20 0.50
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49

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
SCHEMBL135151 0.88 MRGPRX4 (0.53) S1PR1PRKXACVR1S1PR5MEN1
SCHEMBL16355760 0.87 S1PR1 (0.57) S1PR1PRKXACVR1S1PR5MEN1
SCHEMBL15486663 0.87 S1PR1 (0.54) S1PR1PRKXACVR1S1PR5MEN1
SCHEMBL15876231 0.86 FFAR1 (0.62) S1PR1PRKXACVR1S1PR5FFAR1
SCHEMBL3813849 0.84 PTGER1 (0.54) MEN1KMT2ASMN1; SMN2ALDH1A1MAOB
SCHEMBL695003 0.83 S1PR1 (0.57) S1PR1PRKXACVR1S1PR5MEN1
SCHEMBL16355724 0.83 S1PR1 (0.57) S1PR1PRKXACVR1S1PR5MEN1
SCHEMBL13195438 0.83 S1PR1 (0.53) S1PR1PRKXACVR1S1PR5MEN1
SCHEMBL21382927 0.82 NR4A2 (0.54) MEN1KMT2ASMN1; SMN2ALDH1A1MAOB
SCHEMBL4840328 0.82 FFAR1 (0.54) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780337-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME (US) 2017-12-20 EP disclosed
EP-2780337-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME (US) 2017-12-20 EP disclosed
EP-2693882-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2017-06-28 EP disclosed
EP-2693882-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2017-06-28 EP disclosed
EP-2757093-B1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC (JP) 2016-12-07 EP disclosed
US-9199927-B2 Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2015-12-01 US disclosed
US-9018224-B2 Substituted cyclopropyl compounds useful as GPR119 agonists MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-9018224-B2 Substituted cyclopropyl compounds useful as GPR119 agonists MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-9018224-B2 Substituted cyclopropyl compounds useful as GPR119 agonists MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-8957062-B2 Substituted cyclopropyl compounds, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2015-02-17 US disclosed
EP-2780337-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS Merck Sharp & Dohme Corp. (US) 2014-09-24 EP disclosed
EP-2757093-A1 GUANIDINOBENZOIC ACID COMPOUND Astellas Pharma Inc. (JP) 2014-07-23 EP disclosed
US-20140057893-A1 SUBSTITUTED CYCLOPROPLY COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2014-02-27 US disclosed
US-20140057893-A1 SUBSTITUTED CYCLOPROPLY COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2014-02-27 US disclosed
US-20140057893-A1 SUBSTITUTED CYCLOPROPLY COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2014-02-27 US disclosed
EP-2693882-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck Sharp & Dohme Corp. (US) 2014-02-12 EP disclosed
WO-2013074388-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME CORP. (US) 2013-05-23 WO disclosed
WO-2013074388-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME CORP. (US) 2013-05-23 WO disclosed
WO-2012138845-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2012-10-11 WO disclosed
WO-2012138845-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2012-10-11 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 (1 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-20140057893-A1 SUBSTITUTED CYCLOPROPLY COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 S1PR1 397/4885PRKX 1015/4885ACVR1 643/4885

“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.