SCHEMBL4867536

SCHEMBL4867536

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCc2cc(OC(C)(C)C(=O)O)ccc2C1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.58
PPARD Q03181 11/20 0.56
PPARG P37231 7/20 0.56
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL4872840 0.97 PPARA (0.58) PPARAPPARDPPARGTHRATHRB
SCHEMBL4878373 0.92 PPARA (0.54) PPARAPPARDPPARG
SCHEMBL4878572 0.91 PPARA (0.58) PPARAPPARDPPARGTHRATHRB
SCHEMBL14197489 0.91 CNR1 (0.51) PPARAPPARDPPARGTHRATHRB
SCHEMBL4877685 0.91 PPARA (0.47) PPARAPPARDPPARGTHRATHRB
SCHEMBL4874680 0.90 PPARA (0.49) PPARAPPARDPPARGTHRATHRB
SCHEMBL4877901 0.90 PPARA (0.55) PPARAPPARDPPARGTHRATHRB
SCHEMBL4879685 0.89 PPARA (0.56) PPARAPPARDPPARGTHRATHRB
SCHEMBL4874167 0.88 PPARA (0.54) PPARAPPARDPPARGALDH1A1
SCHEMBL4877437 0.88 PPARA (0.58) PPARAPPARDPPARGTHRATHRB

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 11 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 claimed
EP-1824484-A1 DRUGS AND PRODRUGS USEFUL FOR THE TREATMENT OF ENERGY BALANCE IN RUMINANTS Pfizer Products Incorporated (US) 2007-08-29 EP claimed
WO-2006054166-A1 DRUGS AND PRODRUGS USEFUL FOR THE TREATMENT OF ENERGY BALANCE IN RUMINANTS PFIZER PRODUCTS INC. (US) 2006-05-26 WO claimed
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
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-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
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

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.