SCHEMBL2566655

SCHEMBL2566655

CC1(CSc2nc3c(c(=O)n2-c2ccc(OCC(F)(F)F)cc2)CC(=O)N3)COC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.40
TSHR P16473 3/20 0.33
GAA P10253 1/20 0.33
FLT3 P36888 4/20 0.33
PIK3CD O00329 2/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
PIK3CA P42336 1/20 0.32
LIPE Q05469 5/20 0.31
UGCG Q16739 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TP53 P04637 2/20 0.31
LMNA P02545 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL2565032 0.86 TSHR (0.45) FADS1TSHRGAALIPEUGCG
SCHEMBL2566730 0.85 FADS1 (0.42) FADS1TSHRGAAPIK3CDPIK3CB
SCHEMBL2563697 0.85 TSHR (0.46) FADS1TSHRGAALIPEKMT2A
SCHEMBL2561188 0.85 FADS1 (0.42) FADS1TSHRGAAPIK3CDPIK3CB
SCHEMBL2561305 0.84 MEN1 (0.42) FADS1TSHRGAAPIK3CDPIK3CB
SCHEMBL2566985 0.84 FADS1 (0.42) FADS1TSHRGAAPIK3CDPIK3CB
SCHEMBL2565139 0.84 ALDH1A1 (0.45) FADS1TSHRPIK3CDPIK3CBPIK3CG
SCHEMBL2566955 0.83 FADS1 (0.45) FADS1TSHRGAAKMT2AALDH1A1
SCHEMBL2565942 0.83 FADS1 (0.43) FADS1TSHRGAALIPEUGCG
SCHEMBL2997555 0.83 FADS1 (0.46) FADS1TSHRGAALIPEUGCG

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 6 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
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 140/4885TSHR 4543/4885GAA 3631/4885

“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.