SCHEMBL1708131

SCHEMBL1708131

Cc1c(CNc2ccc3c(c2)OC[C@H]3CC(=O)O)cccc1-n1c([C@H]2CCCO2)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.38
PPARD Q03181 4/20 0.37
PPARG P37231 4/20 0.37
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
USP2 O75604 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL10292325 1.00 FFAR1 (0.38) FFAR1PPARDPPARGLMNAMAPT
SCHEMBL10291346 0.94 LMNA (0.39) FFAR1PPARDPPARGLMNAMAPT
SCHEMBL10292326 0.92 FFAR1 (0.39) FFAR1PPARDPPARGMAPT
SCHEMBL10009394 0.92 FFAR1 (0.39) FFAR1PPARDPPARGMAPT
SCHEMBL10010762 0.92 FFAR1 (0.39) FFAR1PPARDPPARGMAPT
SCHEMBL10011833 0.91 FFAR1 (0.39) FFAR1PPARDPPARG
SCHEMBL10291391 0.91 FFAR1 (0.39) FFAR1PPARDPPARG
SCHEMBL10009690 0.90 FFAR1 (0.39) FFAR1PPARDPPARGMAPT
SCHEMBL10291236 0.90 FFAR1 (0.39) FFAR1PPARDPPARGMAPT
SCHEMBL1708405 0.90 FFAR1 (0.39) FFAR1PPARDPPARGTSHRSMN1; 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 3 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

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.