SCHEMBL4877685

SCHEMBL4877685

CCOC(=O)C(C)(C)Oc1ccc2c(c1)CCN(C(=O)c1sc(-c3ccc(C(F)(F)F)cc3)nc1C)C2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.47
PPARD Q03181 9/20 0.47
PPARG P37231 6/20 0.47
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPT P10636 1/20 0.44
CRHBP P24387 1/20 0.44
KMT2A Q03164 1/20 0.44
CRHR2 Q13324 1/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CHRM4 P08173 1/20 0.38

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
SCHEMBL14197497 0.97 PPARA (0.47) PPARAPPARDPPARGKDM4EMEN1
SCHEMBL14197488 0.91 CNR1 (0.47) PPARAPPARDPPARGMEN1MAPT
SCHEMBL4867536 0.91 PPARA (0.58) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL4872840 0.87 PPARA (0.58) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL14197485 0.87 CNR1 (0.47) PPARAPPARDMEN1MAPTKMT2A
SCHEMBL5222159 0.87 KDM4E (0.44) PPARAPPARDPPARGKDM4EMEN1
SCHEMBL5222167 0.85 KDM4E (0.43) PPARAPPARDPPARGKDM4EMEN1
SCHEMBL13334366 0.83 PPARD (0.51) PPARAPPARDPPARGKDM4EMEN1
SCHEMBL4878572 0.82 PPARA (0.58) PPARAPPARDPPARGMEN1MAPT
SCHEMBL4878373 0.82 PPARA (0.54) PPARAPPARDPPARGMAPTESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096916-A1 Drugs And Prodrugs Useful The Treatment Of Energy Balance In Ruminants PFIZER INC. (US) 2008-04-24 US disclosed
US-20080096916-A1 Drugs And Prodrugs Useful The Treatment Of Energy Balance In Ruminants PFIZER INC. (US) 2008-04-24 US disclosed
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 1/4885PPARD 3/4885PPARG 2/4885
US-20080096916-A1 Drugs And Prodrugs Useful The Treatment Of Energy Balance In Ruminants ALPP, PIGS, GYS2 PPARA 614/4885PPARD 503/4885PPARG 489/4885

“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.