SCHEMBL2563809

SCHEMBL2563809

CC(C)Sc1nc2c(c(=O)n1-c1ccc(OCC(F)(F)C(F)(F)F)cc1)CC(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 1/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
FADS1 O60427 1/20 0.35
VCP P55072 2/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
GAA P10253 1/20 0.32
PIK3CD O00329 2/20 0.31
PIK3CG P48736 2/20 0.31
KCNH2 Q12809 4/20 0.30
HRH3 Q9Y5N1 4/20 0.30
AXL P30530 1/20 0.30
MERTK Q12866 1/20 0.30

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
SCHEMBL2565139 0.93 ALDH1A1 (0.45) TSHRALDH1A1HTTNPSR1MAPK1
SCHEMBL2998907 0.91 TSHR (0.39) TSHRALDH1A1HTTNPSR1MAPK1
SCHEMBL2561190 0.90 ALDH1A1 (0.41) TSHRALDH1A1HTTNPSR1KMT2A
SCHEMBL2563696 0.88 TSHR (0.43) TSHRALDH1A1HTTNPSR1KMT2A
SCHEMBL2563812 0.86 TSHR (0.45) TSHRALDH1A1KMT2AMEN1FADS1
SCHEMBL2567059 0.86 FADS1 (0.37) TSHRALDH1A1KMT2AMEN1FADS1
SCHEMBL2559976 0.84 PIK3CD (0.33) FADS1POLBMMP13MMP14PIK3CD
SCHEMBL2997256 0.84 TP53 (0.41) TSHRALDH1A1HTTKMT2AMEN1
SCHEMBL2561536 0.84 PDE7A (0.37) TSHRALDH1A1HTTKMT2AFADS1
SCHEMBL2566863 0.83 FADS1 (0.40) TSHRALDH1A1HTTNPSR1KMT2A

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 TSHR 4543/4885ALDH1A1 875/4885HTT 2833/4885

“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.