SCHEMBL2998907

SCHEMBL2998907

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 5/20 0.35
MEN1 O00255 3/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.34
FADS1 O60427 1/20 0.34
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNH2 Q12809 4/20 0.33
HRH3 Q9Y5N1 4/20 0.33
LCAT P04180 1/20 0.31
TP53 P04637 2/20 0.31
LMNA P02545 2/20 0.31
MAPK1 P28482 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 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
SCHEMBL2566863 0.93 FADS1 (0.40) TSHRALDH1A1NPSR1HTTKMT2A
SCHEMBL2563809 0.91 TSHR (0.44) TSHRALDH1A1NPSR1HTTKMT2A
SCHEMBL2563696 0.88 TSHR (0.43) TSHRALDH1A1NPSR1HTTKMT2A
SCHEMBL2561190 0.88 ALDH1A1 (0.41) TSHRALDH1A1NPSR1HTTKMT2A
SCHEMBL13266572 0.87 TSHR (0.41) TSHRALDH1A1NPSR1HTTKMT2A
SCHEMBL2563812 0.86 TSHR (0.45) TSHRALDH1A1KMT2AMEN1POLB
SCHEMBL2567059 0.84 FADS1 (0.37) TSHRALDH1A1KMT2AMEN1POLB
SCHEMBL2997256 0.84 TP53 (0.41) TSHRALDH1A1HTTKMT2AMEN1
SCHEMBL2561257 0.84 MAPT (0.35) TSHRALDH1A1NPSR1HTTKMT2A
SCHEMBL2565139 0.83 ALDH1A1 (0.45) TSHRALDH1A1NPSR1HTTKMT2A

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 TSHR 4543/4885ALDH1A1 875/4885NPSR1 1130/4885

“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.