SCHEMBL4523928

SCHEMBL4523928

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CN1CCc2cc(OC(C)(C)C(=O)O)ccc2C1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.61
PPARD Q03181 15/20 0.61
PPARG P37231 9/20 0.61
MOGAT2 Q3SYC2 1/20 0.52
FFAR1 O14842 3/20 0.45

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
SCHEMBL4523580 0.97 PPARA (0.61) PPARAPPARDPPARGMOGAT2FFAR1
SCHEMBL12150583 0.95 PPARA (0.63) PPARAPPARDPPARGMOGAT2FFAR1
SCHEMBL4519221 0.91 PPARA (0.51) PPARAPPARDPPARGMOGAT2
SCHEMBL13334167 0.90 PPARA (0.56) PPARAPPARDPPARGMOGAT2
SCHEMBL13334366 0.86 PPARD (0.51) PPARAPPARDPPARGMOGAT2FFAR1
SCHEMBL4510079 0.84 PPARA (0.59) PPARAPPARDPPARGFFAR1
SCHEMBL4518782 0.84 PPARA (0.59) PPARAPPARDPPARGFFAR1
SCHEMBL4867536 0.83 PPARA (0.58) PPARAPPARDPPARG
SCHEMBL12151188 0.83 PPARD (0.60) PPARAPPARDPPARGFFAR1
SCHEMBL5476557 0.82 PPARA (0.65) PPARAPPARDPPARGFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012097-A1 Polycyclic 1,2,3,4-Tetrahydro-Isoquinoline Derivatives and Compositions Comprising Them As Ppar Modulators IRM LLC (BM) 2009-01-08 US claimed
US-20090012097-A1 Polycyclic 1,2,3,4-Tetrahydro-Isoquinoline Derivatives and Compositions Comprising Them As Ppar Modulators IRM LLC (BM) 2009-01-08 US disclosed
US-20090012097-A1 Polycyclic 1,2,3,4-Tetrahydro-Isoquinoline Derivatives and Compositions Comprising Them As Ppar Modulators IRM LLC (BM) 2009-01-08 US disclosed
EP-1979347-A2 POLYCYCLIC 1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES AND COMPOSITIONS COMPRISING THEM AS PPAR MODULATORS IRM LLC (BM) 2008-10-15 EP disclosed
WO-2007089557-A2 POLYCYCLIC 1, 2, 3, 4 -TETRAHYDRO- ISOQUINOLINE DERIVATIVES AND COMPOSITIONS COMPRISING THEM AS PPAR MODULATORS IRM LLC (BM) 2007-08-09 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-20090012097-A1 Polycyclic 1,2,3,4-Tetrahydro-Isoquinoline Derivatives and Compositions Comprising Them As Ppar Modulators PPARG, PPARD, PPARA PPARA 3/4885PPARD 2/4885PPARG 1/4885

“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.