SCHEMBL4468293

SCHEMBL4468293

CCCc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)OCC

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
KDM4E B2RXH2 1/20 0.73
HSP90AA1 P07900 1/20 0.73
CRHBP P24387 1/20 0.73
CRHR2 Q13324 1/20 0.73
TRPM8 Q7Z2W7 5/20 0.54
CDC7 O00311 8/20 0.53
DBF4 Q9UBU7 8/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
PTPN11 Q06124 2/20 0.51
DHODH Q02127 1/20 0.49

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
SCHEMBL4485086 0.93 MAPT (0.70) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL27717711 0.91 MAPT (0.70) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL4804421 0.91 MAPT (0.76) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL4484447 0.91 MAPT (0.76) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL4809764 0.89 MAPT (0.74) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL4467429 0.89 MAPT (0.74) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL4467427 0.89 MAPT (0.67) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL14394668 0.88 MAPT (0.73) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL2885122 0.88 MAPT (0.73) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL4483982 0.88 MAPT (0.66) MAPTMEN1KMT2AKDM4EHSP90AA1

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 17 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-1480642-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-11-26 EP disclosed
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-7259175-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-08-21 US disclosed
US-7259175-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-08-21 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-20060084663-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY, PATENT DIVISION (US) 2006-04-20 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
EP-1480642-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-2003072102-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-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD MAPT 3515/4885MEN1 4660/4885KMT2A 2858/4885
US-20060084663-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD MAPT 4861/4885MEN1 4409/4885KMT2A 1575/4885

“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.