SCHEMBL1763124

SCHEMBL1763124

CNCc1cn(S(=O)(=O)c2ccc(C(C)=O)o2)c(-c2cccnc2F)c1F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
GSK3B P49841 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
Hydrochloric Acid SCHEMBL2412083 0.99 KDM4E (0.32) KDM4EALDH1A1MAPTGSK3B
SCHEMBL1581008 0.92 PARP1 (0.33) GSK3B
SCHEMBL1763137 0.91 TSHR (0.40) KDM4EALDH1A1MAPTGSK3B
Hydrochloric Acid SCHEMBL2410796 0.90 TSHR (0.39) KDM4EALDH1A1MAPTGSK3B
SCHEMBL1762906 0.86 KMT2A (0.30)
SCHEMBL1580441 0.86 GRIA2 (0.30)
SCHEMBL5002632 0.86 KDM4E (0.31) KDM4EALDH1A1MAPT
SCHEMBL5002630 0.86 MAPT (0.30) KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL2410540 0.85 GRIA2 (0.30)
SCHEMBL1763034 0.85 LMNA (0.30)

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
US-9186411-B2 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-20130261156-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-03 US disclosed
EP-2564833-A1 Photostabilized pharmaceutical composition Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
US-20110124687-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 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 (2 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-20110124687-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 KDM4E 2790/4885ALDH1A1 1146/4885MAPT 539/4885
US-20130261156-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 KDM4E 2790/4885ALDH1A1 1146/4885MAPT 539/4885

“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.