SCHEMBL4464787

SCHEMBL4464787

CCOC(=O)c1oc(-c2ccc(C(F)(F)F)cc2)nc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HSP90AA1 P07900 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
TARBP2 Q15633 6/20 0.45
PTPN1 P18031 3/20 0.44
PPARD Q03181 4/20 0.43
PPARG P37231 4/20 0.43
PDCD4 Q53EL6 1/20 0.43
IKBKB O14920 1/20 0.43
PPARA Q07869 2/20 0.41
HIF1A Q16665 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
SCHEMBL5999578 0.98 MAPT (0.49) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL5998873 0.93 MEN1 (0.47) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL5850959 0.87 ALDH1A1 (0.48) MAPTKDM4EPTPN1PPARDPPARG
SCHEMBL3772666 0.85 MAPT (0.55) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL4462656 0.84 TARBP2 (0.62) MAPTMEN1KMT2AKDM4ETARBP2
SCHEMBL4474114 0.83 PPARD (0.45) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL3764200 0.81 KDM4E (0.51) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL3764083 0.79 KDM4E (0.48) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL18004074 0.78 TARBP2 (0.74) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL5852139 0.78 IKBKB (0.42) MAPTMEN1KMT2AKDM4ECRHBP

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 12 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
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
EP-1581521-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
EP-1581491-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP 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
WO-2004092131-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-10-28 WO disclosed
WO-2004063190-A1 FUSED HETEROCYCLIC DERIVATES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 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 (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 MAPT 2395/4885MEN1 4670/4885KMT2A 2455/4885
US-20050107449-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD MAPT 4851/4885MEN1 4766/4885KMT2A 4165/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD MAPT 3515/4885MEN1 4660/4885KMT2A 2858/4885

“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.