SCHEMBL4466321

SCHEMBL4466321

COC(=O)c1sc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 3/20 0.53
GAA P10253 2/20 0.53
MAPT P10636 5/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NR1H4 Q96RI1 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HSP90AA1 P07900 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
PPARA Q07869 5/20 0.44
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
PPARG P37231 1/20 0.43
PPARD Q03181 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
SCHEMBL2168235 0.86 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2NPC1GAAMAPT
SCHEMBL8867441 0.85 SMN1; SMN2 (0.76) ALDH1A1SMN1; SMN2NPC1GAAMAPT
SCHEMBL12402761 0.79 RAB9A (0.69) ALDH1A1SMN1; SMN2NPC1GAAMAPT
SCHEMBL8341727 0.77 PPARA (0.62) ALDH1A1SMN1; SMN2NPC1GAARAB9A
SCHEMBL8343878 0.77 PPARA (0.55) ALDH1A1SMN1; SMN2NPC1GAAMAPT
SCHEMBL8339659 0.76 TRPM8 (0.73) ALDH1A1SMN1; SMN2NPC1GAAMAPT
SCHEMBL1198591 0.75 MAPT (0.81) ALDH1A1SMN1; SMN2NPC1GAAMAPT
SCHEMBL28931086 0.74 TRPM8 (0.58) ALDH1A1SMN1; SMN2NPC1GAAMAPT
SCHEMBL2431456 0.74 CDC7 (0.43) ALDH1A1SMN1; SMN2NPC1RAB9ACDC7
SCHEMBL2886858 0.74 MAPT (0.80) ALDH1A1NPC1GAAMAPTMEN1

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-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-1581491-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
EP-1581521-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 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

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 ALDH1A1 1181/4885SMN1; SMN2 4874/4885NPC1 862/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD ALDH1A1 1182/4885SMN1; SMN2 4859/4885NPC1 638/4885
US-20060084663-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD ALDH1A1 1630/4885SMN1; SMN2 3832/4885NPC1 574/4885

“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.