SCHEMBL7040669

SCHEMBL7040669

Nc1ccccc1OCCOc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)c1.[LiH]

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.59
PPARA Q07869 4/20 0.53
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 1/20 0.49
PYGL P06737 1/20 0.48
SERPINE1 P05121 1/20 0.47
ATM Q13315 1/20 0.46
MAPT P10636 1/20 0.46
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL7037029 0.99 PPARG (0.60) PPARGPPARANPC1RAB9AKDM4E
SCHEMBL7032992 0.90 PPARG (0.55) PPARGPPARANPC1RAB9AKDM4E
Lithium Ion SCHEMBL7040665 0.90 PPARG (0.67) PPARGPPARANPC1RAB9AKDM4E
SCHEMBL7038559 0.89 PPARG (0.59) PPARGPPARAKDM4EALDH1A1PYGL
SCHEMBL7035686 0.87 PPARG (0.60) PPARGPPARAKDM4EALDH1A1PYGL
SCHEMBL7036858 0.86 PPARG (0.58) PPARGPPARANPC1RAB9AKDM4E
SCHEMBL7040943 0.85 PPARG (0.58) PPARGPPARANPC1RAB9ASERPINE1
SCHEMBL7040599 0.84 PPARG (0.61) PPARGPPARAALDH1A1SERPINE1MAPT
SCHEMBL7039855 0.83 PPARG (0.62) PPARGPPARAALDH1A1SERPINE1MAPT
SCHEMBL7038456 0.83 PPARG (0.62) PPARGPPARASERPINE1MAPTTP53

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 2/4885NPC1 1392/4885

“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.