SCHEMBL3914337

SCHEMBL3914337

Cc1cc(OCc2ccccc2)ccc1CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.60
S1PR5 Q9H228 1/20 0.60
FFAR1 O14842 6/20 0.56
MAOB P27338 3/20 0.55
PPARG P37231 1/20 0.51
PPARD Q03181 1/20 0.51
NR4A2 P43354 2/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
ALOX5 P09917 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
P4HTM Q9NXG6 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 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
SCHEMBL12988465 0.91 S1PR1 (0.53) S1PR1S1PR5FFAR1MAOBALOX5
SCHEMBL11965262 0.88 MAOB (0.54) S1PR1S1PR5FFAR1MAOBPPARG
SCHEMBL10927781 0.87 S1PR1 (0.57) S1PR1S1PR5FFAR1MAOBNR4A2
SCHEMBL15486461 0.87 GPR183 (0.55) S1PR1S1PR5FFAR1MAOBPPARG
SCHEMBL13195446 0.86 S1PR1 (0.56) S1PR1S1PR5FFAR1MAOBALOX5
SCHEMBL7102537 0.86 FFAR1 (0.74) S1PR1S1PR5FFAR1FFAR4
SCHEMBL12158512 0.84 S1PR1 (0.59) S1PR1S1PR5FFAR1MAOBALOX5
SCHEMBL13195398 0.84 S1PR1 (0.54) S1PR1S1PR5FFAR1MAOBNR4A2
SCHEMBL3813849 0.84 PTGER1 (0.54) FFAR1MAOBNR4A2ALOX5FFAR4
SCHEMBL695873 0.83 S1PR1 (0.57) S1PR1S1PR5FFAR1MAOBMRGPRX4

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 29 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
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
US-8957062-B2 Substituted cyclopropyl compounds, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2015-02-17 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
WO-2012138845-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2012-10-11 WO disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-05-11 US disclosed
EP-1535915-A1 FURAN OR THIOPHENE DERIVATIVE AND MEDICINAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 EP disclosed
EP-1027332-B1 NOVEL LACTAM METALLOPROTEASE INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-05-26 EP disclosed
US-6610731-B2 Antiinflammatory BRISTOL-MYERS SQUIBB COMPANY 2003-08-26 US disclosed
US-20030134827-A1 Novel lactam metalloprotease inhibitors DUAN JINGWU (US) 2003-07-17 US disclosed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 US disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed
US-4560447-A Electrolytic process for preparation of α-alkylated acetic acid derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1985-12-24 US 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-20030134827-A1 Novel lactam metalloprotease inhibitors ADAM9, ADAM8, ADAM17 S1PR1 3006/4885S1PR5 3703/4885FFAR1 4646/4885
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TXN2, CYP11B2, CYP11B1 S1PR1 258/4885S1PR5 719/4885FFAR1 145/4885

“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.