SCHEMBL4674430

SCHEMBL4674430

Cc1sc(-c2ccc(-c3ccccc3F)nc2)nc1CCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.45
SCD O00767 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 1/20 0.39
NPC1 O15118 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL4889260 0.84 RARA (0.41) PPARGPPARA
SCHEMBL4678052 0.81 TRPM8 (0.43) APEX1SCDPPARGPPARANPC1
SCHEMBL5851013 0.80 APEX1 (0.43) APEX1SCDCYP11B1CYP11B2NPC1
SCHEMBL4678037 0.77 PPARG (0.51) PPARGPPARA
SCHEMBL6602368 0.75 DCK (0.53) PPARGPPARA
SCHEMBL4889434 0.75 RARA (0.51) PPARGPPARA
SCHEMBL1436076 0.74 RARA (0.50) PPARGPPARA
SCHEMBL5850628 0.74 RARA (0.39) APEX1SCDL3MBTL1
SCHEMBL4680689 0.74 PPARG (0.45) PPARGPPARA
SCHEMBL820915 0.72 PPARA (0.49) PPARGPPARARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480642-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-11-26 EP disclosed
US-7259175-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-08-21 US disclosed
US-7153878-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-12-26 US disclosed
US-20060084663-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY, PATENT DIVISION (US) 2006-04-20 US disclosed
US-20050107449-A1 Peroxisome proliferator activated receptor modulators ELILILLY AND COMPANY 2005-05-19 US disclosed
EP-1480640-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP disclosed
EP-1480642-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP disclosed
WO-2003072102-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 WO disclosed
WO-2003072100-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 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-20050107449-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD APEX1 2493/4885SCD 298/4885PPARG 1/4885
US-20060084663-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD APEX1 3987/4885SCD 252/4885PPARG 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.