SCHEMBL2568063

SCHEMBL2568063

CS(=O)(=O)NC(=O)CCCSc1nc2cc[nH]c2c(=O)n1-c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.49
MAPT P10636 3/20 0.38
TP53 P04637 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
PIK3CD O00329 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
PIK3CA P42336 1/20 0.35
PPARG P37231 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 1/20 0.34
SCN9A Q15858 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
SCHEMBL2563678 0.88 FADS1 (0.53) FADS1MAPTTP53MEN1KMT2A
SCHEMBL2565491 0.88 FADS1 (0.53) FADS1MAPTTP53MEN1KMT2A
SCHEMBL2564109 0.87 FADS1 (0.50) FADS1MAPTTP53MEN1KMT2A
SCHEMBL2565560 0.87 FADS1 (0.50) FADS1MAPTTP53MEN1KMT2A
SCHEMBL2574326 0.87 FADS1 (0.48) FADS1MAPTTP53MEN1KMT2A
SCHEMBL2568083 0.86 FADS1 (0.47) FADS1MAPTTP53MEN1KMT2A
SCHEMBL2575941 0.86 FADS1 (0.51) FADS1MAPTTP53MEN1KMT2A
SCHEMBL2569630 0.86 FADS1 (0.47) FADS1MAPTTP53MEN1KMT2A
SCHEMBL2567007 0.85 FADS1 (0.49) FADS1MAPTTP53MEN1KMT2A
SCHEMBL2572910 0.84 FADS1 (0.49) FADS1MAPTTP53MEN1KMT2A

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 140/4885MAPT 2366/4885TP53 836/4885

“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.