SCHEMBL2563697

SCHEMBL2563697

CCCSc1nc2c(c(=O)n1-c1ccc(OCC(F)(F)F)cc1)CC(=O)N2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
FADS1 O60427 1/20 0.46
APLNR P35414 4/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
PDE11A Q9HCR9 2/20 0.39
PDE7A Q13946 1/20 0.39
TP53 P04637 4/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
LIPE Q05469 1/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
SLC5A1 P13866 1/20 0.34

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
SCHEMBL2566866 0.94 FADS1 (0.44) TSHRFADS1APLNRKMT2AMEN1
SCHEMBL2563812 0.93 TSHR (0.45) TSHRFADS1APLNRKMT2AMEN1
SCHEMBL2565032 0.92 TSHR (0.45) TSHRFADS1KMT2AMEN1PDE7A
SCHEMBL2566955 0.91 FADS1 (0.45) TSHRFADS1APLNRKMT2AMEN1
SCHEMBL2997555 0.91 FADS1 (0.46) TSHRFADS1APLNRKMT2AMEN1
SCHEMBL2566412 0.89 FADS1 (0.43) TSHRFADS1KMT2AMEN1TP53
SCHEMBL2566730 0.89 FADS1 (0.42) TSHRFADS1KMT2AMEN1PDE7A
SCHEMBL2568118 0.89 FADS1 (0.43) TSHRFADS1KMT2AGAALIPE
SCHEMBL2561188 0.89 FADS1 (0.42) TSHRFADS1KMT2AMEN1PDE7A
SCHEMBL2561305 0.88 MEN1 (0.42) TSHRFADS1KMT2AMEN1MAPT

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 TSHR 4543/4885FADS1 140/4885APLNR 1310/4885

“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.