SCHEMBL5025952

SCHEMBL5025952

COc1cc(OC)cc(-c2nc(CCl)c(C)o2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HPGD P15428 4/20 0.48
TP53 P04637 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 2/20 0.44
PDE4B Q07343 1/20 0.43
MAPT P10636 4/20 0.42
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
MEN1 O00255 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL2329392 0.85 ALDH1A1 (0.61) ALDH1A1HPGDTP53SMN1; SMN2NFKB1
SCHEMBL3538865 0.84 TARBP2 (0.53) ALDH1A1HPGDTP53SMN1; SMN2HSD17B10
SCHEMBL3973849 0.84 ALDH1A1 (0.48) ALDH1A1HPGDTP53SMN1; SMN2NFKB1
Hydrochloric Acid SCHEMBL3727637 0.84 ALDH1A1 (0.60) ALDH1A1HPGDTP53SMN1; SMN2NFKB1
SCHEMBL5025927 0.82 KDM4E (0.53) ALDH1A1HPGDSMN1; SMN2HSD17B10L3MBTL1
SCHEMBL1435871 0.82 ALDH1A1 (0.46) ALDH1A1HPGDTP53SMN1; SMN2NFKB1
SCHEMBL5024807 0.80 KDM4E (0.41) ALDH1A1HPGDTP53HSD17B10KDM4E
SCHEMBL5022215 0.79 SLC9A1 (0.42) HSD17B10KDM4EPDE4BMAPTPPARG
SCHEMBL12163682 0.78 POLB (0.55) ALDH1A1HPGDHSD17B10KDM4EPDE4B
SCHEMBL5783310 0.78 KDM4E (0.57) ALDH1A1HPGDKDM4EPDE4BMAPT

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100577660-C N-substituted-1H-indol-5-propionic acid compounds as PPAR agonists used for the treatment of diabetes HOFFMANN LA ROCHE 2010-01-06 CN disclosed
CN-100415727-C Chirale oxazole-arylpropionic acid derivatives and their use as PPAR agonists HOFFMANN LA ROCHE (CH) 2008-09-03 CN disclosed
EP-1567523-B1 INDOLYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-08-20 EP disclosed
EP-1551814-B1 CHIRALE OXAZOLE-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-23 EP disclosed
US-7348349-B2 Oxazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-03-25 US disclosed
CN-100343250-C Indole derivatives HOFFMANN LA ROCHE (CH) 2007-10-17 CN disclosed
EP-1539746-B1 N-SUBSTITUTED-1H-INDOL-5-PROPIONIC ACID COMPOUNDS AS PPAR AGONISTS USEFUL FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2006-11-15 EP disclosed
US-7098228-B2 e.g., 3-{1-[2-(3,5-Dimethoxy-phenyl)-5-methyl-oxazol-4-ylmethyl]-1H-indol-4-yl}-2-ethoxy-propionic acid ethyl ester; treating non-insulin dependent diabetes mellitus; PPAR receptor activation HOFFMANN-LA ROCHE INC. (US) 2006-08-29 US disclosed
EP-1392295-B1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2006-05-31 EP disclosed
CN-1717407-A Indolyl derivatives HOFFMANN LA ROCHE (CH) 2006-01-04 CN disclosed
US-20040116487-A1 Novel oxazole derivatives HOFFMANN-LA ROCHE INC. 2004-06-17 US disclosed
WO-2004048371-A1 INDOLYL DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2004-06-10 WO disclosed
US-20040106657-A1 Indolyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-06-03 US disclosed
WO-2004031162-A1 CHIRALE OXAZOLE-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-15 WO disclosed
WO-2004024726-A1 N-SUBSTITUTED-1H-INDOL-5-PROPIONIC ACID COMPOUNDS AS PPAR AGONISTS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2004-03-25 WO disclosed
US-20040053979-A1 Indolyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-03-18 US disclosed
EP-1392295-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2004-03-03 EP disclosed
US-6642389-B2 For therapy of diabetes HOFFMANN-LA ROCHE INC. 2003-11-04 US disclosed
US-20030055265-A1 Oxazole derivatives HOFFMANN-LA ROCHE INC. 2003-03-20 US disclosed
WO-2002092084-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2002-11-21 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 (3 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-20040106657-A1 Indolyl derivatives GPR119, IRS1, INSR ALDH1A1 189/4885HPGD 2065/4885TP53 3639/4885
US-20040053979-A1 Indolyl derivatives UGT1A8, CYP2C8, UGT1A1 ALDH1A1 54/4885HPGD 2382/4885TP53 1299/4885
US-20030055265-A1 Oxazole derivatives PPARD, PPARA, PPARG ALDH1A1 827/4885HPGD 733/4885TP53 3198/4885

“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.