SCHEMBL2565032

SCHEMBL2565032

CCSc1nc2c(c(=O)n1-c1ccc(OCC(F)(F)F)cc1)CC(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
GAA P10253 1/20 0.45
FADS1 O60427 1/20 0.43
ALDH1A1 P00352 5/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
PDE7A Q13946 1/20 0.37
POLB P06746 1/20 0.35
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.35
UGCG Q16739 1/20 0.35
LIPE Q05469 3/20 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
SCHEMBL2563696 0.92 TSHR (0.43) TSHRGAAFADS1ALDH1A1NPSR1
SCHEMBL2563697 0.92 TSHR (0.46) TSHRGAAFADS1ALDH1A1KMT2A
SCHEMBL14957584 0.91 TSHR (0.46) TSHRGAAFADS1ALDH1A1NPSR1
SCHEMBL2566730 0.91 FADS1 (0.42) TSHRGAAFADS1ALDH1A1KMT2A
SCHEMBL2561188 0.90 FADS1 (0.42) TSHRGAAFADS1ALDH1A1KMT2A
SCHEMBL2561305 0.90 MEN1 (0.42) TSHRGAAFADS1ALDH1A1KMT2A
SCHEMBL2566866 0.90 FADS1 (0.44) TSHRGAAFADS1KMT2AMEN1
SCHEMBL2566985 0.90 FADS1 (0.42) TSHRGAAFADS1ALDH1A1NPSR1
SCHEMBL2566955 0.89 FADS1 (0.45) TSHRGAAFADS1ALDH1A1KMT2A
SCHEMBL2565942 0.89 FADS1 (0.43) TSHRGAAFADS1ALDH1A1KMT2A

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
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

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 4543/4885GAA 3631/4885FADS1 140/4885

“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.