Sugi Predict

Sugi Predict / Compounds / SCHEMBL4178494

SCHEMBL4178494

SCHEMBL4178494

CCc1cc(OCc2cccc3cn(-c4ccc(C(F)(F)F)cc4)nc23)ccc1CCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 7/20 0.51
▸ PPARG P37231 6/20 0.51
▸ PPARD Q03181 8/20 0.46
▸ FFAR4 Q5NUL3 5/20 0.44
▸ FFAR1 O14842 5/20 0.44
▸ GCG P01275 1/20 0.41
▸ PARP1 P09874 2/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL3960614 0.91 PPARD (0.56) PPARAPPARGPPARDFFAR4FFAR1
SCHEMBL13791565 0.86 PPARG (0.47) PPARAPPARGPPARDGCGPARP1
SCHEMBL3963362 0.83 PPARA (0.51) PPARAPPARGPPARDFFAR4FFAR1
SCHEMBL3964471 0.80 PPARD (0.52) PPARAPPARGPPARDPARP1HDAC3
SCHEMBL3960962 0.79 PPARD (0.56) PPARAPPARGPPARD
SCHEMBL3970539 0.78 PARP1 (0.42) PPARAPPARDFFAR4FFAR1PARP1
SCHEMBL3966899 0.77 PPARD (0.47) PPARAPPARGPPARDFFAR4FFAR1
SCHEMBL3961112 0.77 PPARD (0.41) PPARAPPARGPPARDFFAR4FFAR1
SCHEMBL5904623 0.77 PPARD (0.61) PPARAPPARGPPARDFFAR4FFAR1
SCHEMBL5708246 0.76 PPARD (0.41) PPARAPPARGPPARDFFAR4FFAR1

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-7544707-B2 Bicyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-06-09 — — US claimed
US-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 — — US claimed
US-7544707-B2 Bicyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-06-09 — — US disclosed
US-7544707-B2 Bicyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-06-09 — — US disclosed
US-7544707-B2 Bicyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-06-09 — — US disclosed
US-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 — — US disclosed
US-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 — — US disclosed
US-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 — — 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 (1 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-20070106081-A1 Bicyclic derivatives as ppar modulators PPARD, PPARA, PPARG PPARA 2/4885PPARG 3/4885PPARD 1/4885

“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.