SCHEMBL7036849

SCHEMBL7036849

O=C(Nc1ccc(OCc2cccs2)cc1C(=O)O)c1ccc(F)cc1F.[LiH]

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.55
PPARA Q07869 1/20 0.55
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.47
NOX1 Q9Y5S8 1/20 0.42
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40
BCL3 P20749 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
POLB P06746 2/20 0.39

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
SCHEMBL7038565 0.99 PPARG (0.56) PPARGPPARAKMT2AMEN1NPC1
Lithium Ion SCHEMBL7036844 0.89 PPARG (0.70) PPARGPPARAKMT2AMEN1NOX1
SCHEMBL7039313 0.89 PPARG (0.55) PPARGPPARAKMT2AMEN1NPC1
SCHEMBL7036649 0.82 PPARG (0.80) PPARGPPARAKMT2AMEN1NPC1
SCHEMBL7040522 0.81 PPARG (0.82) PPARGPPARAKMT2AMEN1NPC1
SCHEMBL7038509 0.77 PPARG (0.50) PPARGPPARAKMT2AMEN1NPC1
SCHEMBL7040262 0.76 PPARG (0.51) PPARGPPARAKMT2AMEN1NPC1
SCHEMBL7038581 0.76 PPARG (0.57) PPARGPPARAKMT2AMEN1NPC1
SCHEMBL7038655 0.74 PPARG (0.58) PPARGPPARAKMT2AMEN1NPC1
SCHEMBL7034823 0.74 PPARG (0.81) PPARGPPARAKMT2AMEN1NPC1

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-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 2/4885KMT2A 1939/4885

“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.