SCHEMBL25213616

SCHEMBL25213616

CC(C)(Oc1ccc(C(F)(F)F)nc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.50
PPARD Q03181 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C19 P33261 1/20 0.50
PPARG P37231 5/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
FABP2 P12104 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
PDE5A O76074 1/20 0.41
MAP4K4 O95819 1/20 0.41
KCNH2 Q12809 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
SCN9A Q15858 1/20 0.41

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
SCHEMBL31067879 1.00 PPARA (0.50) PPARAPPARDMEN1KMT2ACYP1A2
SCHEMBL31067888 0.81 PPARA (0.56) PPARAPPARDCYP1A2CYP3A4PPARG
SCHEMBL25262066 0.81 PPARA (0.56) PPARAPPARDCYP1A2CYP3A4PPARG
SCHEMBL3374593 0.79 PPARA (0.54) PPARAPPARDMEN1KMT2ACYP1A2
SCHEMBL27526965 0.76 POLB (0.49) MAPTMRGPRX4SCN9ALMNAALDH1A1
SCHEMBL3371243 0.75 PPARA (0.64) PPARAPPARDMEN1KMT2ACYP1A2
SCHEMBL29540443 0.74 MRGPRX4 (0.56) PPARAPPARDMEN1KMT2AMAPT
SCHEMBL360071 0.74 MRGPRX4 (0.56) PPARAPPARDMEN1KMT2AMAPT
Trifluoroacetic Acid SCHEMBL31439609 0.74 MRGPRX4 (0.52) PPARAPPARDMEN1KMT2AMAPT
SCHEMBL11877180 0.73 PPARA (0.65) PPARAPPARDMEN1KMT2ACYP1A2

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-20240400579-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. 2024-12-05 US disclosed
EP-4436976-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION Genentech, Inc. (US) 2024-10-02 EP disclosed
WO-2023097234-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 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-20240400579-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION MAG, NR1H2, PMP22 PPARA 473/4885PPARD 600/4885MEN1 2432/4885

“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.