SCHEMBL3885989

SCHEMBL3885989

CC(C)(C)OC(=O)C(C)(C)Sc1ccc(C=CN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR1H3 Q13133 5/20 0.34
▸ NR1H2 P55055 4/20 0.34
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ BCHE P06276 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ PPARA Q07869 1/20 0.30

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
SCHEMBL3885986 1.00 NR1H3 (0.34) NR1H3NR1H2KMT2AMEN1NPC1
SCHEMBL6359890 0.90 NR1H3 (0.33) NR1H3KMT2AMEN1NPC1RAB9A
SCHEMBL5804197 0.85 TBXAS1 (0.38) NR1H3NR1H2KMT2AMEN1NPC1
SCHEMBL5804198 0.85 TBXAS1 (0.38) NR1H3NR1H2KMT2AMEN1NPC1
SCHEMBL29451601 0.79 SMN1; SMN2 (0.38) NR1H3NR1H2KMT2AMEN1SMN1; SMN2
SCHEMBL4575361 0.75 FBP1 (0.44) NR1H3NR1H2KMT2AMEN1SMN1; SMN2
SCHEMBL4575360 0.75 FBP1 (0.44) NR1H3NR1H2KMT2AMEN1SMN1; SMN2
SCHEMBL3885465 0.74 CASP3 (0.45) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6364141 0.74 ALDH1A1 (0.43) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29451792 0.74 HSD17B10 (0.41) NR1H3KMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528276-B2 Process for preparing the intermediate compounds for PPAR α ligands SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2009-05-05 — — US disclosed
US-20080269516-A1 Process for Preparing the Intermediate Compounds for Pparalpha Ligands SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2008-10-30 — — US disclosed
EP-1149063-B1 UREIDO-THIOBUTYRIC ACID DERIVATIVES AS PPAR-AGONISTS SMITHKLINE BEECHAM CORP (US) 2004-12-15 — — EP disclosed
EP-1149063-A2 UREIDO-THIOBUTYRIC ACID DERIVATIVES AS PPAR-AGONISTS GLAXO GROUP LIMITED (GB) 2001-10-31 — — EP disclosed
US-6306854-B1 ARYLTHIOALKYLACIDS AND ALKYL UREAS GLAXOSMITHKLINE 2001-10-23 — — US disclosed
WO-2000023407-A2 UREIDO-THIOBUTYRIC ACID DERIVATIVES AS PPAR-AGONISTS GLAXO GROUP LIMITED (GB) 2000-04-27 — — 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-20080269516-A1 Process for Preparing the Intermediate Compounds for Pparalpha Ligands PPARG, PPARA, PPARD NR1H3 4/4885NR1H2 5/4885KMT2A 4274/4885

“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.

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