SCHEMBL4483940

SCHEMBL4483940

CCOC(=O)Cn1ccc2cc(S)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
JAK3 P52333 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TNF P01375 4/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MTNR1A P48039 1/20 0.39

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
SCHEMBL5637363 0.86 ATM (0.56) ATMALDH1A1MAPTKDM4EKMT2A
SCHEMBL3689068 0.84 F2 (0.45) ATMJAK2JAK1JAK3ALDH1A1
SCHEMBL30396580 0.84 F2 (0.45) ATMJAK2JAK1JAK3ALDH1A1
SCHEMBL1666483 0.83 NTSR1 (0.52) ATMALDH1A1TNFMAPTLMNA
SCHEMBL29138523 0.83 MTNR1A (0.56) ATMALDH1A1TNFMAPTLMNA
SCHEMBL20037218 0.83 TDP1 (0.53) ATMALDH1A1MAPTLMNAPDE4B
SCHEMBL20037274 0.83 ALDH1A1 (0.50) ATMALDH1A1TNFKDM4EPOLB
SCHEMBL4485443 0.83 NTSR1 (0.52) ATMALDH1A1LMNAMEN1KMT2A
SCHEMBL19777848 0.82 ALDH1A1 (0.46) ATMJAK2JAK1JAK3ALDH1A1
SCHEMBL7968586 0.82 PLA2G4A (0.53) ATMJAK2JAK1JAK3ALDH1A1

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 5 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
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 ATM 1191/4885JAK2 424/4885JAK1 1565/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD ATM 1405/4885JAK2 1048/4885JAK1 2321/4885

“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.