SCHEMBL5068595

SCHEMBL5068595

O=S(=O)(c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)n1ccc2c[c]ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC6 Q9UBN7 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
PKM P14618 1/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
NOX4 Q9NPH5 2/20 0.37
NOD1 Q9Y239 1/20 0.36
RORC P51449 1/20 0.35
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL5885620 0.76 L3MBTL1 (0.48) HTR6L3MBTL1POLBMEN1KMT2A
SCHEMBL147442 0.76 HTR6 (0.66) HTR6L3MBTL1POLBMEN1KMT2A
SCHEMBL5063774 0.74 PPARD (0.55) HTR6L3MBTL1POLBHDAC1HDAC6
SCHEMBL28685370 0.70 HTR6 (0.56) HTR6L3MBTL1POLBHDAC1HDAC6
SCHEMBL145051 0.69 KCNH2 (0.43)
SCHEMBL30075056 0.68 HTR6 (0.53) HTR6L3MBTL1POLBHDAC1HDAC6
SCHEMBL14631737 0.68 HTR6 (0.53) HTR6L3MBTL1POLBHDAC1HDAC6
SCHEMBL29425682 0.68 HDAC1 (0.52) HTR6L3MBTL1POLBHDAC1HDAC6
SCHEMBL28692303 0.68 HDAC1 (0.52) HTR6L3MBTL1POLBHDAC1HDAC6
SCHEMBL28037053 0.67 HTR6 (0.63) HTR6L3MBTL1POLBHDAC1HDAC6

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-20080234349-A1 PPAR active compounds PLEXXIKON INC. 2008-09-25 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-20080234349-A1 PPAR active compounds PPARG, PPARA, PPARD HTR6 1985/4885L3MBTL1 3414/4885POLB 620/4885

“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.