SCHEMBL19643363

SCHEMBL19643363

CC(C)Oc1cccc(OC(C)C)c1-c1ccc(C2CCCCC2)c(C2CCCCC2)c1P(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.34
PTGDR Q13258 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
PTPN5 P54829 3/20 0.34
PTPN2 P17706 1/20 0.34
CAMKK2 Q96RR4 1/20 0.34
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
ABCB1 P08183 1/20 0.33
IKBKB O14920 1/20 0.33

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
SCHEMBL28167754 0.87 ABCB1 (0.42) PTGDR2PTPN5PTPN2ABCB1HTR1A
SCHEMBL29392064 0.80 ADRA2A (0.41) CA1CA2CA7CA9PDE10A
SCHEMBL3499337 0.80 ALOX5AP (0.37) CA1CA2CA7CA9PDE10A
SCHEMBL31218663 0.80 PTGDR2 (0.37) CA1CA2CA7CA9PDE10A
SCHEMBL19809959 0.79 ALOX5AP (0.35) CA1CA2CA7CA9PDE10A
SCHEMBL28005452 0.77 ROCK2 (0.39) PTGDR2PTGDRPTPN5PTPN2
SCHEMBL28483732 0.76 CAMKK2 (0.41) CA1CA2CA7CA9PDE10A
SCHEMBL27679150 0.75 PTPN5 (0.44) PTGDR2PTPN5PTPN2SMN1; SMN2ADCY1
SCHEMBL28999533 0.72 ALOX5AP (0.42) CA1CA2CA7CA9PDE10A
SCHEMBL641745 0.72 PTPN5 (0.37) PTPN5PTPN2CAMKK2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11161819-B2 Substituted tetrahydroisoquinoline compounds useful as GPR120 agonists MERCK SHARP & DOHME CORP. (US) 2021-11-02 US disclosed
US-10864211-B2 Hydroxy isoxazole compounds useful as GPR120 agonists MERCK SHARP & DOHME CORP. (US) 2020-12-15 US disclosed
US-20200347020-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-11-05 US disclosed
EP-3555055-A1 HYDROXY ISOXAZOLE COMPOUNDS USEFUL AS GPR120 AGONISTS Merck Sharp & Dohme Corp. (US) 2019-10-23 EP disclosed
US-20190269679-A1 HYDROXY ISOXAZOLE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-09-05 US disclosed
US-20190161448-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-05-30 US disclosed
EP-3463362-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS Merck Sharp & Dohme Corp. (US) 2019-04-10 EP disclosed
WO-2018111734-A1 HYDROXY ISOXAZOLE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-06-21 WO disclosed
WO-2017205193-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-30 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 (5 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-20190161448-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR88, GPR180 CA1 4845/4885CA2 4019/4885CA7 4634/4885
US-11161819-B2 Substituted tetrahydroisoquinoline compounds useful as GPR120 agonists GPR119, GPR88, GPR180 CA1 4844/4885CA2 3986/4885CA7 4644/4885
US-10864211-B2 Hydroxy isoxazole compounds useful as GPR120 agonists GPR119, GPR88, GPR180 CA1 4632/4885CA2 3127/4885CA7 4014/4885
US-20200347020-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR88, GPR180 CA1 4844/4885CA2 3986/4885CA7 4644/4885
US-20190269679-A1 HYDROXY ISOXAZOLE COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR88, GPR180 CA1 4632/4885CA2 3127/4885CA7 4014/4885

“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.