SCHEMBL25880815

SCHEMBL25880815

CC(C)Cn1nc(C(=O)NCC(F)(F)F)cc1-c1ccc(-c2ccc(CN=O)c(S(C)(=O)=O)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.55
PPARG P37231 2/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
HDAC3 O15379 4/20 0.33
HDAC4 P56524 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC7 Q8WUI4 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC10 Q969S8 4/20 0.33
HDAC11 Q96DB2 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
HDAC6 Q9UBN7 4/20 0.33
HDAC9 Q9UKV0 4/20 0.33
HDAC5 Q9UQL6 4/20 0.33
SMPD1 P17405 2/20 0.33
MALT1 Q9UDY8 2/20 0.33
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CHRM1 P11229 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
SCHEMBL16553546 0.91 NR1H2 (0.67) NR1H2PPARGPPARDPPARAHDAC3
SCHEMBL16553538 0.82 NR1H2 (0.67) NR1H2APLNR
SCHEMBL21887741 0.78 NR1H2 (0.47) NR1H2PPARGPPARDPPARAHDAC3
SCHEMBL17943738 0.76 NR1H2 (0.71) NR1H2SMPD1MALT1
SCHEMBL16553554 0.74 NR1H2 (0.77) NR1H2
SCHEMBL21887746 0.74 NR1H2 (0.45) NR1H2HDAC3HDAC4HDAC1HDAC7
SCHEMBL17970776 0.73 NR1H2 (0.71) NR1H2SMPD1
SCHEMBL17943801 0.73 NR1H2 (0.91) NR1H2SMPD1
SCHEMBL29496569 0.72 NR1H2 (0.73) NR1H2
SCHEMBL16553563 0.72 NR1H2 (0.65) NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212127-A1 LIVER X RECEPTOR (LXR) MODULATORS ELLORA THERAPEUTICS, INC. 2023-07-06 US 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-20230212127-A1 LIVER X RECEPTOR (LXR) MODULATORS NR1H2, NR1H3, NR1H4 NR1H2 1/4885PPARG 17/4885PPARD 44/4885

“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.