SCHEMBL7038522

SCHEMBL7038522

COc1ccc(C(C)C)cc1-c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.54
PPARA Q07869 2/20 0.54
HDAC8 Q9BY41 2/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
PYGL P06737 2/20 0.48
ACLY P53396 2/20 0.46
SERPINE1 P05121 1/20 0.45
KCNMA1 Q12791 1/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7039787 0.92 HDAC8 (0.50) PPARGPPARAHDAC8HDAC1HDAC6
SCHEMBL7037066 0.87 PPARG (0.57) PPARGPPARAHDAC8HDAC1HDAC6
SCHEMBL7041691 0.79 MAPT (0.54) PPARGPPARAHDAC8HDAC1HDAC6
SCHEMBL7038137 0.79 PPARG (0.68) PPARGPPARASERPINE1MAPTSMN1; SMN2
SCHEMBL4480333 0.78 HDAC6 (0.53) HDAC8HDAC1HDAC6
SCHEMBL7040866 0.78 PPARG (0.67) PPARGPPARASERPINE1MAPTSMN1; SMN2
Lithium Ion SCHEMBL7041664 0.78 PPARG (0.59) PPARGPPARAHDAC8HDAC1HDAC6
SCHEMBL3340565 0.77 TSHR (0.56) SMN1; SMN2HPGDALDH1A1LMNATP53
SCHEMBL1307242 0.77 PPARG (0.81) PPARGPPARAHDAC8HDAC1HDAC6
SCHEMBL7034738 0.74 PPARG (0.53) PPARGPPARAHDAC8HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073862-A1 Compounds BIOVITRUM AB (SE) 2003-04-17 US claimed
WO-2003004458-A1 NEW COMPOUNDS BIOVITRUM AB (SE) 2003-01-16 WO claimed
US-20030073862-A1 Compounds BIOVITRUM AB (SE) 2003-04-17 US disclosed
WO-2003004458-A1 NEW COMPOUNDS BIOVITRUM AB (SE) 2003-01-16 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-20030073862-A1 Compounds PPARG, PPARA, PPARD PPARG 1/4885PPARA 2/4885HDAC8 1071/4885

“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.