SCHEMBL4877993

SCHEMBL4877993

Cc1nc(-c2ccccc2C(F)(F)F)sc1C(=O)N1CCc2cc(OC(C)(C)C(=O)O)ccc2C1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.56
PPARD Q03181 3/20 0.56
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
HTR2C P28335 6/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
PPARG P37231 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ABHD6 Q9BV23 1/20 0.39
CNR1 P21554 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
SCHEMBL4877889 0.97 PPARA (0.56) PPARAPPARDTHRATHRBHTR2C
SCHEMBL14197489 0.88 CNR1 (0.51) PPARAPPARDTHRATHRBPPARG
SCHEMBL4867536 0.86 PPARA (0.58) PPARAPPARDTHRATHRBPPARG
SCHEMBL4878572 0.86 PPARA (0.58) PPARAPPARDTHRATHRBESR1
SCHEMBL4875329 0.85 CNR1 (0.51) PPARAPPARDTHRATHRBPPARG
SCHEMBL4878373 0.84 PPARA (0.54) PPARAPPARDESR1ESR2PPARG
SCHEMBL4872840 0.83 PPARA (0.58) PPARAPPARDTHRATHRBPPARG
SCHEMBL4874680 0.83 PPARA (0.49) PPARAPPARDTHRATHRBPPARG
SCHEMBL4877437 0.83 PPARA (0.58) PPARAPPARDTHRATHRBPPARG
SCHEMBL4879685 0.82 PPARA (0.56) PPARAPPARDTHRATHRBPPARG

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-6987118-B2 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PFIZER INC. (US) 2006-01-17 US 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
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 3/4885THRA 97/4885
US-20080096916-A1 Drugs And Prodrugs Useful The Treatment Of Energy Balance In Ruminants ALPP, PIGS, GYS2 PPARA 614/4885PPARD 503/4885THRA 48/4885

“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.