SCHEMBL2566027

SCHEMBL2566027

CCCCSc1nc2[nH]ccc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.52
PIK3CD O00329 5/20 0.44
PIK3CG P48736 4/20 0.44
PIK3CB P42338 3/20 0.44
PIK3CA P42336 2/20 0.43
TSHR P16473 2/20 0.40
APLNR P35414 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PDE2A O00408 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE11A Q9HCR9 1/20 0.38
METAP2 P50579 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TP53 P04637 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 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
SCHEMBL2565059 0.94 FADS1 (0.54) FADS1PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2558130 0.91 FADS1 (0.49) FADS1PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2560508 0.90 FADS1 (0.51) FADS1PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2995367 0.89 FADS1 (0.54) FADS1PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2563189 0.88 FADS1 (0.52) FADS1PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL3005589 0.88 FADS1 (0.48) FADS1PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2560899 0.87 FADS1 (0.49) FADS1PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2564047 0.87 FADS1 (0.49) FADS1PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL3003511 0.86 FADS1 (0.51) FADS1PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2564399 0.86 FADS1 (0.48) FADS1PIK3CDPIK3CGPIK3CBPIK3CA

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 2105/4885PIK3CG 1887/4885

“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.