SCHEMBL3916255

SCHEMBL3916255

CCOC(=O)c1cccc2sc(-c3ccc(C(F)(F)F)cc3)nc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 2/20 0.60
HSP90AA1 P07900 1/20 0.60
CRHBP P24387 1/20 0.60
CRHR2 Q13324 1/20 0.60
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
DHODH Q02127 1/20 0.45
TRPM8 Q7Z2W7 4/20 0.44
CDC7 O00311 4/20 0.43
DBF4 Q9UBU7 4/20 0.43
FOS P01100 1/20 0.43
JUN P05412 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL13647424 0.86 TRPM8 (0.57) MAPTALDH1A1HPGDNPC1GAA
SCHEMBL3922398 0.77 APP (0.48) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL1936412 0.76 ALDH1A1 (0.52) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL2886858 0.76 MAPT (0.80) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL20642209 0.76 MAPT (0.68) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL6219086 0.76 BACE1 (0.49) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL3922253 0.76 KDM4E (0.60) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL3919277 0.76 TOP2A (0.51) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL8341363 0.75 MAPT (0.78) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL4801129 0.75 MAPT (0.78) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598266-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-7598266-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-7598266-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS CONNER SCOTT EUGENE 2009-02-26 US disclosed
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS CONNER SCOTT EUGENE 2009-02-26 US disclosed
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS CONNER SCOTT EUGENE 2009-02-26 US disclosed
US-7384965-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-7384965-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-7384965-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-20060205744-A1 Fused heterocyclic derivatives as ppar modulators ELI LILLY AND COMPANY PATENT DIVISION (US) 2006-09-14 US disclosed
EP-1585726-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063155-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 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-20060205744-A1 Fused heterocyclic derivatives as ppar modulators PPARA, PPARG, PPARD MAPT 4866/4885MEN1 4796/4885KMT2A 3762/4885
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS PPARA, PPARG, PPARD MAPT 4863/4885MEN1 4770/4885KMT2A 3451/4885

“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.