SCHEMBL4876902

SCHEMBL4876902

COc1ccc(-c2nc(C)c(C(=O)N3CCc4ccc(OC(C)(C)C(=O)O)cc4C3)s2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.46
POLB P06746 2/20 0.45
GAA P10253 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PPARD Q03181 4/20 0.44
ABCB1 P08183 8/20 0.44
MAPK1 P28482 2/20 0.42
ATM Q13315 1/20 0.42
ABCC1 P33527 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4874167 0.93 PPARA (0.54) PPARAPOLBALDH1A1MAPTL3MBTL1
SCHEMBL4878373 0.89 PPARA (0.54) PPARAPOLBMAPTL3MBTL1PPARD
SCHEMBL4875329 0.88 CNR1 (0.51) PPARAPOLBALDH1A1MAPTHPGD
SCHEMBL4877901 0.88 PPARA (0.55) PPARAPOLBALDH1A1MAPTHPGD
SCHEMBL4874131 0.88 PPARA (0.55) PPARAPOLBGAAALDH1A1MAPT
SCHEMBL4879685 0.87 PPARA (0.56) PPARAPOLBL3MBTL1PPARDABCB1
SCHEMBL4872840 0.86 PPARA (0.58) PPARAGAAALDH1A1PPARD
SCHEMBL14197489 0.85 CNR1 (0.51) PPARAPOLBALDH1A1MAPTHPGD
SCHEMBL4874680 0.85 PPARA (0.49) PPARAPOLBALDH1A1L3MBTL1PPARD
SCHEMBL4877437 0.84 PPARA (0.58) PPARAALDH1A1MAPTHPGDPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633747-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS PPAR-A ACTIVATORS Pfizer Products Inc. (US) 2006-03-15 EP claimed
US-20040248934-A1 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PFIZER INC. 2004-12-09 US claimed
WO-2004103997-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS PPAR-α ACTIVATORS PFIZER PRODUCTS INC. (US) 2004-12-02 WO claimed
US-20080096916-A1 Drugs And Prodrugs Useful The Treatment Of Energy Balance In Ruminants PFIZER INC. (US) 2008-04-24 US disclosed
EP-1633747-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS PPAR-A ACTIVATORS Pfizer Products Inc. (US) 2006-03-15 EP disclosed
US-6987118-B2 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PFIZER INC. (US) 2006-01-17 US disclosed
US-20040248934-A1 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PFIZER INC. 2004-12-09 US disclosed
WO-2004103997-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS PPAR-α ACTIVATORS PFIZER PRODUCTS INC. (US) 2004-12-02 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 (2 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-20040248934-A1 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PPARA, PPARG, PPARD PPARA 1/4885POLB 2223/4885GAA 2512/4885
US-20080096916-A1 Drugs And Prodrugs Useful The Treatment Of Energy Balance In Ruminants ALPP, PIGS, GYS2 PPARA 614/4885POLB 2310/4885GAA 1822/4885

“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.