SCHEMBL1708405

SCHEMBL1708405

Cc1c(CNc2ccc3c(c2)OC[C@H]3CC(=O)O)cccc1-n1c([C@@H]2CCCO2)nc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.39
PPARD Q03181 7/20 0.35
PPARG P37231 7/20 0.35
PPARA Q07869 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL10011521 1.00 FFAR1 (0.39) FFAR1PPARDPPARGPPARAL3MBTL1
SCHEMBL10010762 0.93 FFAR1 (0.39) FFAR1PPARDPPARGPPARA
SCHEMBL13046478 0.93 TSHR (0.35) FFAR1L3MBTL1HPGDTSHRHTT
SCHEMBL10009690 0.92 FFAR1 (0.39) FFAR1PPARDPPARGPPARA
SCHEMBL10292326 0.92 FFAR1 (0.39) FFAR1PPARDPPARG
SCHEMBL10291236 0.92 FFAR1 (0.39) FFAR1PPARDPPARGPPARA
SCHEMBL10009394 0.92 FFAR1 (0.39) FFAR1PPARDPPARG
SCHEMBL10292325 0.90 FFAR1 (0.38) FFAR1PPARDPPARGTSHRSMN1; SMN2
SCHEMBL1708131 0.90 FFAR1 (0.38) FFAR1PPARDPPARGTSHRSMN1; SMN2
SCHEMBL10012602 0.90 FFAR1 (0.41) FFAR1PPARDPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R FFAR1 20/4885PPARD 133/4885PPARG 155/4885

“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.