SCHEMBL4877437

SCHEMBL4877437

Cc1nc(-c2cccc(C(F)(F)F)c2)sc1C(=O)N1CCc2ccc(OC(C)(C)C(=O)O)cc2C1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.58
PPARD Q03181 7/20 0.54
PPARG P37231 5/20 0.54
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
THRB P10828 2/20 0.44
THRA P10827 1/20 0.44
MAPT P10636 4/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR1 P21554 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL4878572 0.97 PPARA (0.58) PPARAPPARDPPARGALDH1A1SMN1; SMN2
SCHEMBL4874680 0.93 PPARA (0.49) PPARAPPARDPPARGALDH1A1SMN1; SMN2
SCHEMBL4872840 0.91 PPARA (0.58) PPARAPPARDPPARGALDH1A1THRB
SCHEMBL4875329 0.90 CNR1 (0.51) PPARAPPARDPPARGALDH1A1SMN1; SMN2
SCHEMBL4867536 0.88 PPARA (0.58) PPARAPPARDPPARGALDH1A1THRB
SCHEMBL4879685 0.87 PPARA (0.56) PPARAPPARDPPARGTHRBTHRA
SCHEMBL14197489 0.87 CNR1 (0.51) PPARAPPARDPPARGALDH1A1SMN1; SMN2
SCHEMBL4877901 0.86 PPARA (0.55) PPARAPPARDPPARGALDH1A1THRB
SCHEMBL4874167 0.86 PPARA (0.54) PPARAPPARDPPARGALDH1A1MAPT
SCHEMBL4877889 0.86 PPARA (0.56) PPARAPPARDPPARGALDH1A1THRB

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
US-20040248934-A1 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PFIZER INC. 2004-12-09 US claimed
US-20080096916-A1 Drugs And Prodrugs Useful The Treatment Of Energy Balance In Ruminants PFIZER INC. (US) 2008-04-24 US disclosed
EP-1824484-A1 DRUGS AND PRODRUGS USEFUL FOR THE TREATMENT OF ENERGY BALANCE IN RUMINANTS Pfizer Products Incorporated (US) 2007-08-29 EP disclosed
WO-2006054166-A1 DRUGS AND PRODRUGS USEFUL FOR THE TREATMENT OF ENERGY BALANCE IN RUMINANTS PFIZER PRODUCTS INC. (US) 2006-05-26 WO 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.