SCHEMBL7033982

SCHEMBL7033982

O=C(Nc1ccc(OCCc2cccc(Cl)c2)cc1C(=O)O)c1ccc(Cl)cc1Cl.[LiH]

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.61
PPARA Q07869 5/20 0.60
SIRT2 Q8IXJ6 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MCL1 Q07820 1/20 0.48
BCL2A1 Q16548 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.47
SERPINE1 P05121 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL7035460 0.99 PPARG (0.62) PPARGPPARASIRT2NPC1RAB9A
SCHEMBL7041211 0.92 PPARG (0.61) PPARGPPARASIRT2NPC1RAB9A
SCHEMBL7037288 0.92 PPARG (0.59) PPARGPPARATP53MAPTLMNA
SCHEMBL7041825 0.91 PPARG (0.62) PPARGPPARASIRT2NPC1RAB9A
SCHEMBL7040860 0.91 PPARG (0.60) PPARGPPARATP53MAPTLMNA
SCHEMBL7035597 0.89 PPARG (0.59) PPARGPPARASIRT2NPC1RAB9A
Lithium Ion SCHEMBL7033975 0.89 PPARG (0.75) PPARGPPARASIRT2NPC1RAB9A
SCHEMBL7039964 0.85 PPARG (0.81) PPARGPPARANPC1MCL1BCL2A1
SCHEMBL7040809 0.84 PPARG (0.83) PPARGPPARANPC1MCL1BCL2A1
SCHEMBL7042066 0.84 PPARG (0.56) PPARGPPARATP53SERPINE1

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 2/4885SIRT2 567/4885

“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.