SCHEMBL13850262

SCHEMBL13850262

CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccc(CO)cn1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.73
RXRA P19793 2/20 0.65
RARG P13631 1/20 0.65
PPARA Q07869 3/20 0.61
CYP3A4 P08684 2/20 0.58
MPC2 O95563 1/20 0.52
CYP2C8 P10632 1/20 0.52
CYP2C9 P11712 1/20 0.52
FFAR1 O14842 2/20 0.50
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL13524842 0.90 PPARG (0.73) PPARGRXRARARGPPARACYP3A4
SCHEMBL7035192 0.90 PPARG (0.73) PPARGRXRARARGPPARACYP3A4
SCHEMBL13847850 0.89 PPARG (0.72) PPARGRXRARARGPPARACYP3A4
SCHEMBL13847851 0.88 PPARG (0.71) PPARGRXRARARGPPARACYP3A4
SCHEMBL13850179 0.88 PPARG (0.71) PPARGRXRARARGPPARACYP3A4
SCHEMBL7507856 0.87 PPARG (0.69) PPARGRXRARARGPPARACYP3A4
SCHEMBL13847858 0.87 PPARG (0.69) PPARGRXRARARGPPARACYP3A4
SCHEMBL7033344 0.85 PPARG (0.73) PPARGRXRARARGPPARACYP3A4
SCHEMBL13847855 0.85 PPARG (0.66) PPARGRXRARARGPPARACYP3A4
Rosiglitazone SCHEMBL5169 0.84 PPARG (1.00) PPARGRXRARARGPPARACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES CHEN JAMES M 2009-05-21 US disclosed
US-7407965-B2 Phosphonate analogs for treating metabolic diseases GILEAD SCIENCES, INC. (US) 2008-08-05 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-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES PHOSPHO1, G6PC1, PC PPARG 314/4885RXRA 1689/4885RARG 2108/4885

“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.