SCHEMBL4477726

SCHEMBL4477726

CCOC(=O)Cn1ccc2cc(S[Si](C(C)C)(C(C)C)C(C)C)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.39
▸ JAK1 P23458 2/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ PDE4B Q07343 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ CACNA1B Q00975 1/20 0.37
▸ APBA1 Q02410 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ NTSR1 P30989 3/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL19777848 0.83 ALDH1A1 (0.46) JAK2JAK1JAK3ALDH1A1MAPK1
SCHEMBL30396580 0.77 F2 (0.45) JAK2JAK1JAK3ALDH1A1ATM
SCHEMBL3689068 0.77 F2 (0.45) JAK2JAK1JAK3ALDH1A1ATM
SCHEMBL4483940 0.76 ATM (0.43) JAK2JAK1JAK3ALDH1A1ATM
SCHEMBL20037218 0.76 TDP1 (0.53) ALDH1A1MAPK1ATMPDE4BPDE4D
SCHEMBL29138523 0.76 MTNR1A (0.56) ALDH1A1ATMPDE4BPDE4DHSD17B10
SCHEMBL20037274 0.76 ALDH1A1 (0.50) ALDH1A1PPARDPPARAATMTSHR
SCHEMBL1666483 0.76 NTSR1 (0.52) ALDH1A1ATMPDE4BPDE4DMAPT
SCHEMBL4485443 0.76 NTSR1 (0.52) ALDH1A1MAPK1ATMMEN1KMT2A
SCHEMBL7968586 0.75 PLA2G4A (0.53) JAK2JAK1JAK3ALDH1A1ATM

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 3 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-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

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-20060166983-A1 Indole derivatives as ppar modulators PPARA, PPARD, PPARG JAK2 424/4885JAK1 1565/4885JAK3 1731/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD JAK2 1048/4885JAK1 2321/4885JAK3 2286/4885

“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.

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