SCHEMBL4484956

SCHEMBL4484956

Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1[C@H](C)CO

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.47
IKBKB O14920 1/20 0.42
PPARD Q03181 5/20 0.41
PPARG P37231 5/20 0.41
PPARA Q07869 5/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
TRPV3 Q8NET8 2/20 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
SCHEMBL4467290 1.00 PTPN1 (0.47) PTPN1IKBKBPPARDPPARGPPARA
SCHEMBL6221689 0.84 PTPN1 (0.49) PTPN1IKBKBPPARDPPARGPPARA
SCHEMBL6619673 0.84 PTPN1 (0.46) PTPN1IKBKBPPARDPPARGPPARA
SCHEMBL4484951 0.84 PTPN1 (0.47) PTPN1IKBKBPPARDPPARGPPARA
SCHEMBL4463506 0.83 IKBKB (0.41) PTPN1IKBKBPPARDPPARGPPARA
SCHEMBL6619668 0.82 PTPN1 (0.48) PTPN1IKBKBPPARDPPARGPPARA
SCHEMBL5217558 0.82 TARBP2 (0.49) PPARGPPARALMNA
SCHEMBL7254381 0.78 PTPN1 (0.52) PTPN1IKBKBPPARDPPARGPPARA
SCHEMBL9831925 0.77 PTPN1 (0.51) PTPN1IKBKBPPARDPPARGPPARA
SCHEMBL4473982 0.77 PTPN1 (0.48) PTPN1IKBKBPPARDPPARGPPARA

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
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
EP-1480640-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2007-08-15 EP disclosed
EP-1480640-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2007-08-15 EP disclosed
US-7153878-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-12-26 US disclosed
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators ELI LILLY AND COMPANY 2006-09-28 US disclosed
US-20060166983-A1 Indole derivatives as ppar modulators ELI LILLY AND COMPANY 2006-07-27 US disclosed
US-20050107449-A1 Peroxisome proliferator activated receptor modulators ELILILLY AND COMPANY 2005-05-19 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 (3 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-20060166983-A1 Indole derivatives as ppar modulators PPARA, PPARD, PPARG PTPN1 2276/4885IKBKB 1096/4885PPARD 2/4885
US-20050107449-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD PTPN1 1071/4885IKBKB 4269/4885PPARD 3/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD PTPN1 2288/4885IKBKB 857/4885PPARD 3/4885

“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.