SCHEMBL2559985

SCHEMBL2559985

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.51
PIK3CD O00329 2/20 0.38
PIK3CB P42338 2/20 0.38
PIK3CG P48736 2/20 0.38
PIK3CA P42336 1/20 0.38
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 6/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
GAA P10253 1/20 0.35
APLNR P35414 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
PTGS2 P35354 1/20 0.33

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
SCHEMBL2566541 0.94 FADS1 (0.50) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2566331 0.93 FADS1 (0.49) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2562601 0.90 FADS1 (0.51) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2564293 0.90 FADS1 (0.51) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2567416 0.89 FADS1 (0.47) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2566139 0.89 FADS1 (0.51) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2561473 0.88 FADS1 (0.49) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2564109 0.88 FADS1 (0.50) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2565491 0.87 FADS1 (0.53) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2566591 0.87 FADS1 (0.49) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed
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.