SCHEMBL2998780

SCHEMBL2998780

O=c1c2[nH]ccc2nc(SCCOC2CCOCC2)n1-c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.43
PIK3CD O00329 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
PIK3CA P42336 1/20 0.35
TP53 P04637 8/20 0.34
LIPE Q05469 3/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 1/20 0.32
CD38 P28907 1/20 0.31

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
SCHEMBL2563076 0.95 FADS1 (0.42) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL3003298 0.89 TP53 (0.35) FADS1TP53TSHRKMT2AMEN1
SCHEMBL2995705 0.87 FADS1 (0.39) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL3004175 0.84 FADS1 (0.44) FADS1TP53KMT2AMEN1LMNA
SCHEMBL2566506 0.84 TP53 (0.34) FADS1TP53TSHRKMT2AMEN1
SCHEMBL2991169 0.83 FADS1 (0.43) FADS1TP53TSHRKMT2AMEN1
SCHEMBL2567552 0.82 FADS1 (0.49) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2567315 0.82 FADS1 (0.44) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2562601 0.82 FADS1 (0.51) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2559985 0.82 FADS1 (0.51) FADS1PIK3CDPIK3CBPIK3CGPIK3CA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 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 (1 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-20100190747-A1 Fused ring compound and use thereof CYP46A1, LTB4R2, PTGES FADS1 140/4885PIK3CD 2105/4885PIK3CB 1806/4885

“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.